PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 34469685-0 2021 Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters. Iron 55-59 spindlin 1 Homo sapiens 0-4 34469685-3 2021 We apply the method to investigate the spin ladder in iron-sulfur dimer and tetramer model systems. Iron 54-58 spindlin 1 Homo sapiens 39-43 34424708-3 2021 To that end, we have developed a ligand platform featuring phosphinimide donors intended to stabilize oxidized, high-spin iron complexes. Iron 122-126 spindlin 1 Homo sapiens 117-121 34424708-5 2021 Spectroscopic and computational studies of this species support a high-spin Fe(III) center antiferromagnetically coupled to a superoxide ligand, similar to that proposed for numerous nonheme iron oxygenases. Iron 191-195 spindlin 1 Homo sapiens 71-75 34384050-3 2021 Our results suggest that the resonance mode in iron-based superconductors becomes isotropic when the influence of spin-orbit coupling and magnetic/nematic order is minimized, similar to those observed in cuprate superconductors. Iron 47-51 spindlin 1 Homo sapiens 114-118 33715691-0 2021 The Effects of Fe Film Thickness and the H2 Annealing Time on the Spin-Capability of Carbon Nanotube Forest with Chemical Vapor Deposition Method. Iron 15-17 spindlin 1 Homo sapiens 66-70 34293724-0 2021 Spin-to-charge conversion and interface-induced spin Hall magnetoresistance in yttrium iron garnet/metallic bilayers. Iron 87-91 spindlin 1 Homo sapiens 0-4 34293724-0 2021 Spin-to-charge conversion and interface-induced spin Hall magnetoresistance in yttrium iron garnet/metallic bilayers. Iron 87-91 spindlin 1 Homo sapiens 48-52 34293724-1 2021 We report the investigation of spin-to-charge current interconversion process in hybrid structures of yttrium iron garnet (YIG)/metallic bilayers by means of two different experimental techniques: spin pumping effect (SPE) and spin Hall magnetoresistance (SMR). Iron 110-114 spindlin 1 Homo sapiens 31-35 34293724-1 2021 We report the investigation of spin-to-charge current interconversion process in hybrid structures of yttrium iron garnet (YIG)/metallic bilayers by means of two different experimental techniques: spin pumping effect (SPE) and spin Hall magnetoresistance (SMR). Iron 110-114 spindlin 1 Homo sapiens 197-201 34169954-0 2021 Spin and valence isomerism in cyanide-bridged {FeMII} (M = Fe and Co) clusters. Iron 59-61 spindlin 1 Homo sapiens 0-4 33715691-1 2021 The effects of as-deposited iron (Fe) film thickness and the hydrogen (H2) annealing time on the spin-capability of carbon nanotube (CNT) forest have been studied. Iron 28-32 spindlin 1 Homo sapiens 97-101 33715691-1 2021 The effects of as-deposited iron (Fe) film thickness and the hydrogen (H2) annealing time on the spin-capability of carbon nanotube (CNT) forest have been studied. Iron 34-36 spindlin 1 Homo sapiens 97-101 33715691-2 2021 Both, the as-deposited Fe film thickness and the H2 annealing time significantly changed the morphology of Fe nanoparticles (NPs) after annealing process during the synthesis step of spin-capable carbon nanotube (SCNT) forest. Iron 23-25 spindlin 1 Homo sapiens 183-187 33715691-2 2021 Both, the as-deposited Fe film thickness and the H2 annealing time significantly changed the morphology of Fe nanoparticles (NPs) after annealing process during the synthesis step of spin-capable carbon nanotube (SCNT) forest. Iron 107-109 spindlin 1 Homo sapiens 183-187 33715691-4 2021 In conclusion, the spin-capability of CNT forest can be achieved by controlling the initial Fe film thickness and/or the H2 annealing time. Iron 92-94 spindlin 1 Homo sapiens 19-23 35247217-0 2022 Tuning the Spin State of the Iron Center by Bridge-Bonded Fe-O-Ti Ligands for Enhanced Oxygen Reduction. Iron 29-33 spindlin 1 Homo sapiens 11-15 35512338-0 2022 Cooperative C-H Bond Activation by a Low-Spin d6 Iron-Aluminum Complex. Iron 49-53 spindlin 1 Homo sapiens 41-45 35512338-5 2022 Here, we show that inclusion of an aluminum-based ligand into the coordination sphere of neutral low-spin d6 iron complex leads to unexpected reactivity. Iron 109-113 spindlin 1 Homo sapiens 101-105 35247217-2 2022 Hereon, we provide an axial Fe-O-Ti ligand regulated spin-state transition strategy to improve the oxygen reduction reaction (ORR) activity of Fe centers. Iron 143-145 spindlin 1 Homo sapiens 53-57 35549246-5 2022 The Fe ions inserted between TaS2 vdW layers with very weak bonding with TaS2 vdW layer, are the origin of the ferromagnetism and give rise to its weak electron-spin and spin-phonon couplings which in turn lead to the observed abnormal hot carrier decay in the ferromagnetic phase Fe1/3TaS2. Iron 4-6 spindlin 1 Homo sapiens 161-165 35549246-5 2022 The Fe ions inserted between TaS2 vdW layers with very weak bonding with TaS2 vdW layer, are the origin of the ferromagnetism and give rise to its weak electron-spin and spin-phonon couplings which in turn lead to the observed abnormal hot carrier decay in the ferromagnetic phase Fe1/3TaS2. Iron 4-6 spindlin 1 Homo sapiens 170-174 35437988-4 2022 The synergetic mechanism is further found to be broadly applicable in O2 adsorption on magnetic X2C18H12 (X = Mn, Fe, Co, and Ni) with a well-defined linear scaling dependence between the chemical activity and spin excitation energy. Iron 114-116 spindlin 1 Homo sapiens 210-214 35072463-0 2022 High-Performance Fe-Based Prussian Blue Cathode Material for Enhancing the Activity of Low-Spin Fe by Cu Doping. Iron 17-19 spindlin 1 Homo sapiens 91-95 35522454-0 2022 Local Spin-state Tuning of Iron Single-Atom Electrocatalyst by S-coordinated Doping for Kinetics-boosted Ammonia Synthesis. Iron 27-31 spindlin 1 Homo sapiens 6-10 35167749-0 2022 Analysis of the Geometric and Electronic Structure of Spin-Coupled Iron-Sulfur Dimers with Broken-Symmetry DFT: Implications for FeMoco. Iron 67-71 spindlin 1 Homo sapiens 54-58 35167749-3 2022 In this work, we present a geometric benchmarking test set, FeMoD11, of synthetic spin-coupled Fe-Fe and Mo-Fe dimers, with relevance to the molecular and electronic structure of the Mo-nitrogenase FeMo cofactor. Iron 95-97 spindlin 1 Homo sapiens 82-86 35167749-3 2022 In this work, we present a geometric benchmarking test set, FeMoD11, of synthetic spin-coupled Fe-Fe and Mo-Fe dimers, with relevance to the molecular and electronic structure of the Mo-nitrogenase FeMo cofactor. Iron 98-100 spindlin 1 Homo sapiens 82-86 35167749-3 2022 In this work, we present a geometric benchmarking test set, FeMoD11, of synthetic spin-coupled Fe-Fe and Mo-Fe dimers, with relevance to the molecular and electronic structure of the Mo-nitrogenase FeMo cofactor. Iron 108-110 spindlin 1 Homo sapiens 82-86 35072463-0 2022 High-Performance Fe-Based Prussian Blue Cathode Material for Enhancing the Activity of Low-Spin Fe by Cu Doping. Iron 96-98 spindlin 1 Homo sapiens 91-95 35072463-5 2022 In addition to few Fe(CN)6 vacancies and low crystal water, the improved performance is also related to the enhanced electrochemical activity of low-spin Fe and the stabilizing effect of Cu on the crystal structure. Iron 154-156 spindlin 1 Homo sapiens 149-153 35072463-7 2022 As a result, after Cu doping, the initial discharge capacity is enhanced from 107.9 to 127.4 mA h g-1 at 100 mA g-1, especially the capacities contributed by low-spin Fe increase from 30.0, 21.7, and 16.7 mA h g-1 to 48.8, 45.4, and 43.7 mA h g-1 for the first three cycles, respectively. Iron 167-169 spindlin 1 Homo sapiens 162-166 2483680-1 1989 The proton spin-lattice relaxation time T1 in iron-doped serum was measured with a magnetic resonance imager operating at 0.5 T. The T1 in aqueous solutions of iron and iron-doped solutions of albumin and gamma globulin was also measured in order to analyse the paramagnetic contribution in iron-doped serum. Iron 46-50 spindlin 1 Homo sapiens 11-15 35148163-0 2022 Erratum: Chiral Spin-Wave Velocities Induced by All-Garnet Interfacial Dzyaloshinskii-Moriya Interaction in Ultrathin Yttrium Iron Garnet Films (Phys. Iron 126-130 spindlin 1 Homo sapiens 16-20 10037963-0 1988 Spin-wave nonlinear dynamics in an yttrium iron garnet sphere. Iron 43-47 spindlin 1 Homo sapiens 0-4 9948073-0 1989 Spin disorder in paramagnetic fcc iron. Iron 34-38 spindlin 1 Homo sapiens 0-4 6277891-2 1982 A relaxation occurring in approximately 100 microseconds involves perturbation of a spin-equilibrium between two folded conformers of the protein with methionine-80 coordinated or dissociated from the heme iron. Iron 206-210 spindlin 1 Homo sapiens 84-88 9940459-0 1986 Spin-dependent momentum distribution in iron studied with circularly polarized synchrotron radiation. Iron 40-44 spindlin 1 Homo sapiens 0-4 9939460-0 1986 Spin-polarized photoemission from iron by pulsed laser radiation. Iron 34-38 spindlin 1 Homo sapiens 0-4 9940240-0 1986 Spin delocalization of interstitial iron in silicon. Iron 36-40 spindlin 1 Homo sapiens 0-4 3967035-3 1985 The iron-bound N-3 of the model complexes exhibited two infrared stretching bands, which were assigned to the high- and low-spin peaks. Iron 4-8 spindlin 1 Homo sapiens 124-128 4347785-0 1972 Spin-spin interaction between molybdenum and one of the iron-sulphur systems of xanthine oxidase and its relevance to the enzymic mechanism. Iron 56-60 spindlin 1 Homo sapiens 0-4 518870-8 1979 There are two possible implications of this result: (1) the iron atom spin state is not the only major factor in the determination of its position with respect to the heme plane or (2) the change with conformation of the protein force exerted by the proximal histidine on the iron atom (for an iron to heme-plane displacement of less than 0.3 A) is less than 50% of that expected from simple models in which this motion is responsible for cooperativity. Iron 60-64 spindlin 1 Homo sapiens 70-74 518870-8 1979 There are two possible implications of this result: (1) the iron atom spin state is not the only major factor in the determination of its position with respect to the heme plane or (2) the change with conformation of the protein force exerted by the proximal histidine on the iron atom (for an iron to heme-plane displacement of less than 0.3 A) is less than 50% of that expected from simple models in which this motion is responsible for cooperativity. Iron 276-280 spindlin 1 Homo sapiens 70-74 518870-8 1979 There are two possible implications of this result: (1) the iron atom spin state is not the only major factor in the determination of its position with respect to the heme plane or (2) the change with conformation of the protein force exerted by the proximal histidine on the iron atom (for an iron to heme-plane displacement of less than 0.3 A) is less than 50% of that expected from simple models in which this motion is responsible for cooperativity. Iron 276-280 spindlin 1 Homo sapiens 70-74 182223-3 1976 The observation of a 630 nm band in quantum mixed-spin heme spectra, and the spin state-dependence of the band intensity, are discussed in the context of the iron-ligand structure for quantum mixed-spin heme inferred from magnetic data. Iron 158-162 spindlin 1 Homo sapiens 50-54 182223-3 1976 The observation of a 630 nm band in quantum mixed-spin heme spectra, and the spin state-dependence of the band intensity, are discussed in the context of the iron-ligand structure for quantum mixed-spin heme inferred from magnetic data. Iron 158-162 spindlin 1 Homo sapiens 77-81 182223-3 1976 The observation of a 630 nm band in quantum mixed-spin heme spectra, and the spin state-dependence of the band intensity, are discussed in the context of the iron-ligand structure for quantum mixed-spin heme inferred from magnetic data. Iron 158-162 spindlin 1 Homo sapiens 77-81 4347785-0 1972 Spin-spin interaction between molybdenum and one of the iron-sulphur systems of xanthine oxidase and its relevance to the enzymic mechanism. Iron 56-60 spindlin 1 Homo sapiens 5-9 33496295-4 2021 Layer-resolved DMI calculations revealed that the sign of the spin-orbit coupling (SOC) energy was changed for Au near the interface of Au/Fe under tensile stress, subsequently reversing the chirality of the i-DMI from left-handed to right-handed. Iron 139-141 spindlin 1 Homo sapiens 62-66 34050997-2 2021 Here, electric-field manipulation of the amplitude and phase of propagating spin waves in a ferromagnetic Fe film on top of a ferroelectric BaTiO3 substrate is demonstrated experimentally. Iron 106-108 spindlin 1 Homo sapiens 76-80 34043842-0 2021 High-Spin Iron(VI), Low-Spin Ruthenium(VI), and Magnetically Bistable Osmium(VI) in Molecular Group 8 Nitrido Trifluorides NMF3. Iron 10-14 spindlin 1 Homo sapiens 5-9 33975955-3 2021 Here, we show for a Bi-substituted lutetium iron garnet how a suite of advanced electron microscopy techniques, combined with theoretical calculations, can be used to determine the interactions between a range of quantum-order parameters, including lattice, charge, spin, orbital, and crystal field splitting energy. Iron 44-48 spindlin 1 Homo sapiens 266-270 33938744-0 2021 A Distinct Spin Structure and Giant Baromagnetic Effect in MnNiGe Compounds with Fe-Doping. Iron 81-83 spindlin 1 Homo sapiens 11-15 33938744-3 2021 Here, we report a new spin structure(CyS-AFMb) with antiferromagnetic(AFM) nature in Fe-doped Mn0.87Fe0.13NiGe. Iron 85-87 spindlin 1 Homo sapiens 22-26 33938744-8 2021 The compressed lattice by pressure favors the 45 -CoS-FMa and significantly broadened 3d bandwidth of Mn(Fe) atoms, which leads to the shortened magnetic moment and evolution of spin structure. Iron 105-107 spindlin 1 Homo sapiens 178-182 33784082-0 2021 Enhancing Chemo- and Stereoselectivity in C-H Bond Oxygenation with H2O2 by Nonheme High-Spin Iron Catalysts: The Role of Lewis Acid and Multimetal Centers. Iron 94-98 spindlin 1 Homo sapiens 89-93 33784082-1 2021 Spin states of iron often direct the selectivity in oxidation catalysis by iron complexes using hydrogen peroxide (H2O2) on an oxidant. Iron 15-19 spindlin 1 Homo sapiens 0-4 33784082-1 2021 Spin states of iron often direct the selectivity in oxidation catalysis by iron complexes using hydrogen peroxide (H2O2) on an oxidant. Iron 75-79 spindlin 1 Homo sapiens 0-4 33784082-5 2021 The enhanced selectivity for C-H bond hydroxylation catalyzed by the high-spin iron(II) complexes in the presence of Sc3+ parallels that of the low-spin iron catalysts. Iron 79-83 spindlin 1 Homo sapiens 74-78 33784082-5 2021 The enhanced selectivity for C-H bond hydroxylation catalyzed by the high-spin iron(II) complexes in the presence of Sc3+ parallels that of the low-spin iron catalysts. Iron 79-83 spindlin 1 Homo sapiens 148-152 34018804-3 2021 As expected for coherent spin pumping, we observe that the sign of the inverse spin-Hall voltage provides direct information about the mode handedness as deduced by comparing hematite, chromium oxide and the ferrimagnet yttrium-iron garnet. Iron 228-232 spindlin 1 Homo sapiens 79-83 33477114-3 2021 Doping Fe at the Mn site leads to an increase in the spin reorientation temperature (TSR) from 33K (x=0) to 55K (x=0.1) while the TN remains nearly constant at 72K. Iron 7-9 spindlin 1 Homo sapiens 53-57 33022879-0 2021 Spin-controlled binding of carbon dioxide by an iron center. Iron 48-52 spindlin 1 Homo sapiens 0-4 33462465-3 2021 Here, we employ resonant inelastic X-ray scattering to investigate the spectrum of spin excitations in mesoscopic Fe films, from bulk-like films down to three unit cells. Iron 114-116 spindlin 1 Homo sapiens 83-87 33480755-1 2021 We demonstrate ground state tunability for a hybrid artificial spin ice composed of Fe nanomagnets which are subject to site-specific exchange-bias fields, applied in integer multiples of the lattice along one sublattice of the classic square artificial spin ice. Iron 84-86 spindlin 1 Homo sapiens 63-67 33156628-3 2020 Here we demonstrate by density functional theory calculations that precise spin manipulation can be achieved by extra CO and NO molecules coordination to transition metal phthalocyanine (TMPc) (TM = Co, Fe, Mn) molecules deposited on metal-supported graphene; the spins of TMPc molecules are switched from S to S - 1/2 ( S - 1 ) after NO (CO) coordination. Iron 203-205 spindlin 1 Homo sapiens 75-79 33205790-3 2020 As high as 35% of the Fe atoms were deduced to be associated with the A2 type of disordering in Co2FeAl, which provides a basic understanding of the observed much lower value of spin polarization as observed in this system against the high value predicted theoretically. Iron 22-24 spindlin 1 Homo sapiens 178-182 33273540-0 2020 The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems. Iron 14-16 spindlin 1 Homo sapiens 29-33 33273540-0 2020 The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems. Iron 14-16 spindlin 1 Homo sapiens 45-49 33273540-0 2020 The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems. Iron 82-84 spindlin 1 Homo sapiens 29-33 33273540-0 2020 The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems. Iron 82-84 spindlin 1 Homo sapiens 45-49 33273540-3 2020 Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. Iron 42-44 spindlin 1 Homo sapiens 78-82 33273540-3 2020 Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. Iron 42-44 spindlin 1 Homo sapiens 108-112 32882128-1 2020 A family of iron(III) spin crossover complexes with different counteranions, [Fe(qsal-F)2]A (qsal-F = 4-fluoro-2-[(8-quinolylimino)methyl]phenolate; A = PF6- 1, OTf- 2, NO3- 3, ClO4- 4, BF4- 5, or NCS- 6) have been prepared. Iron 12-16 spindlin 1 Homo sapiens 22-26 33119321-4 2020 The spin-split Kondo resonance provides quantitative information on the exchange field and on the spin polarization of the iron atom. Iron 123-127 spindlin 1 Homo sapiens 4-8 33119321-4 2020 The spin-split Kondo resonance provides quantitative information on the exchange field and on the spin polarization of the iron atom. Iron 123-127 spindlin 1 Homo sapiens 98-102 33258645-1 2020 We report the results of a new search for long-range spin-dependent interactions using a Rb-^{21}Ne atomic comagnetometer and a rotatable electron spin source based on a SmCo_{5} magnet with an iron flux return. Iron 194-198 spindlin 1 Homo sapiens 53-57 33124822-0 2020 Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in Pt3M (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys. Iron 114-116 spindlin 1 Homo sapiens 63-67 32975969-0 2020 Neutron Spin Resonance in a Quasi-Two-Dimensional Iron-Based Superconductor. Iron 50-54 spindlin 1 Homo sapiens 8-12 32975969-2 2020 Here, we report an inelastic neutron scattering study on the low-energy spin excitations in a quasi-two-dimensional iron-based superconductor KCa_{2}Fe_{4}As_{4}F_{2}. Iron 116-120 spindlin 1 Homo sapiens 72-76 32656436-4 2020 Spin polarization of MoS2 is gradually induced when Fe approaches the surface and eliminated when Fe roams around a potential energy trap on the MoS2 layer. Iron 52-54 spindlin 1 Homo sapiens 0-4 32787335-0 2020 Key Role of the Surface Band Structure in Spin-Dependent Interfacial Electron Transfer: Ar/Fe(110) and Ar/Co(0001). Iron 91-93 spindlin 1 Homo sapiens 42-46 32227503-4 2020 More importantly, the Fe 4 M 2 molecules constitute a unique example where the presence of the guests directly affects the pressure-induced thermal spin crossover (SCO) phenomenon occurring at the Fe II centers. Iron 22-24 spindlin 1 Homo sapiens 148-152 32506000-4 2020 The performance of the setup was tested on ferromagnetic Fe nanoscale islands on a W(110) single crystal, with spatial resolution of 3.3 nm in spin asymmetry images. Iron 57-59 spindlin 1 Homo sapiens 143-147 32578990-4 2020 We find that the magnetic anisotropy and spin relaxation dynamics of the Fe atom within the complexes remain unperturbed in comparison to well-isolated Fe atoms. Iron 73-75 spindlin 1 Homo sapiens 41-45 32656436-4 2020 Spin polarization of MoS2 is gradually induced when Fe approaches the surface and eliminated when Fe roams around a potential energy trap on the MoS2 layer. Iron 98-100 spindlin 1 Homo sapiens 0-4 32501088-4 2020 We derive general formulae for single magnon excitation rates from dark matter scattering, and demonstrate as a proof of principle the projected reach of a yttrium iron garnet target for several dark matter models with spin-dependent interactions. Iron 164-168 spindlin 1 Homo sapiens 219-223 32486640-0 2020 Effect of Crystal Symmetry on the Spin States of Fe3+ and Vibration Modes in Lead-Free Double Perovskite Cs2AgBi(Fe)Br6. Iron 49-51 spindlin 1 Homo sapiens 34-38 32484666-0 2020 Correction to Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes. Iron 72-76 spindlin 1 Homo sapiens 57-61 33209248-12 2020 A strong spin-cooperation between the two iron centres also reduces the barrier for second hydrogen atom abstraction, thus making the desaturation pathway competitive. Iron 42-46 spindlin 1 Homo sapiens 9-13 32442996-9 2020 It is thought that the oxygen vacancies bring about unequal number of Fe2+and Fe3+ions and thereby strengthen the magnetic frustration among the iron ions coupled with antiferromagnetic interactions, leading to the spin glass behavior. Iron 145-149 spindlin 1 Homo sapiens 215-219 31945748-2 2020 A marriage between OPE and Fe(II)-BPP systems is a strategy to obtain supramolecular luminescent ligands capable of metal coordination useful to produce novel spin-switchable hybrids with synergistic coupling between spin-state of Fe(II) and a physical property associated with the OPE skeleton, for example, electronic conductivity or luminescence. Iron 27-37 spindlin 1 Homo sapiens 159-163 31945748-2 2020 A marriage between OPE and Fe(II)-BPP systems is a strategy to obtain supramolecular luminescent ligands capable of metal coordination useful to produce novel spin-switchable hybrids with synergistic coupling between spin-state of Fe(II) and a physical property associated with the OPE skeleton, for example, electronic conductivity or luminescence. Iron 27-37 spindlin 1 Homo sapiens 217-221 31945748-2 2020 A marriage between OPE and Fe(II)-BPP systems is a strategy to obtain supramolecular luminescent ligands capable of metal coordination useful to produce novel spin-switchable hybrids with synergistic coupling between spin-state of Fe(II) and a physical property associated with the OPE skeleton, for example, electronic conductivity or luminescence. Iron 27-33 spindlin 1 Homo sapiens 159-163 31945748-2 2020 A marriage between OPE and Fe(II)-BPP systems is a strategy to obtain supramolecular luminescent ligands capable of metal coordination useful to produce novel spin-switchable hybrids with synergistic coupling between spin-state of Fe(II) and a physical property associated with the OPE skeleton, for example, electronic conductivity or luminescence. Iron 27-33 spindlin 1 Homo sapiens 217-221 31945748-6 2020 Complex [Fe(L1)]n(BF4)2n underwent thermal SCO centred at T1/2 = 275 K as well as photoinduced low-spin to high-spin transition with the existence of the metastable high-spin state up to 52 K. On the other hand, complex [Fe(L2)]n(BF4)2n, tethered with 2-ethylhexyloxy groups, showed gradual and half-complete SCO with 50% of the Fe(II)-centres permanently blocked in the high-spin state due to intermolecular steric interactions. Iron 9-11 spindlin 1 Homo sapiens 99-103 31945748-6 2020 Complex [Fe(L1)]n(BF4)2n underwent thermal SCO centred at T1/2 = 275 K as well as photoinduced low-spin to high-spin transition with the existence of the metastable high-spin state up to 52 K. On the other hand, complex [Fe(L2)]n(BF4)2n, tethered with 2-ethylhexyloxy groups, showed gradual and half-complete SCO with 50% of the Fe(II)-centres permanently blocked in the high-spin state due to intermolecular steric interactions. Iron 9-11 spindlin 1 Homo sapiens 112-116 31945748-6 2020 Complex [Fe(L1)]n(BF4)2n underwent thermal SCO centred at T1/2 = 275 K as well as photoinduced low-spin to high-spin transition with the existence of the metastable high-spin state up to 52 K. On the other hand, complex [Fe(L2)]n(BF4)2n, tethered with 2-ethylhexyloxy groups, showed gradual and half-complete SCO with 50% of the Fe(II)-centres permanently blocked in the high-spin state due to intermolecular steric interactions. Iron 9-11 spindlin 1 Homo sapiens 112-116 31945748-6 2020 Complex [Fe(L1)]n(BF4)2n underwent thermal SCO centred at T1/2 = 275 K as well as photoinduced low-spin to high-spin transition with the existence of the metastable high-spin state up to 52 K. On the other hand, complex [Fe(L2)]n(BF4)2n, tethered with 2-ethylhexyloxy groups, showed gradual and half-complete SCO with 50% of the Fe(II)-centres permanently blocked in the high-spin state due to intermolecular steric interactions. Iron 9-11 spindlin 1 Homo sapiens 112-116 31967374-2 2020 Here we report the first N,N"-disubstituted 2,6-bis(pyrazol-3-yl)pyridines (3-bpp) that, against the common wisdom, induce a spin-crossover in otherwise high-spin iron(II) complexes by increasing the steric demand of a bulky substituent, an ortho-functionalized phenyl group. Iron 163-171 spindlin 1 Homo sapiens 125-129 31967374-2 2020 Here we report the first N,N"-disubstituted 2,6-bis(pyrazol-3-yl)pyridines (3-bpp) that, against the common wisdom, induce a spin-crossover in otherwise high-spin iron(II) complexes by increasing the steric demand of a bulky substituent, an ortho-functionalized phenyl group. Iron 163-171 spindlin 1 Homo sapiens 158-162 32301607-8 2020 We propose that this structural distortion contributes to the trapping of iron in its high-spin state. Iron 74-78 spindlin 1 Homo sapiens 91-95 32052980-0 2020 Spin Regulation on 2D Pd-Fe-Pt Nanomeshes Promotes Fuels Electrooxidations. Iron 22-30 spindlin 1 Homo sapiens 0-4 31914428-0 2020 Spin crossover in mononuclear Fe(II) complexes based on a tetradentate ligand. Iron 30-36 spindlin 1 Homo sapiens 0-4 32159166-5 2020 This translates into geometrical distortions of the first coordination sphere of the iron atom that seem to correlate with the decreased spin conversion. Iron 85-89 spindlin 1 Homo sapiens 137-141 32045257-7 2020 Our results not only suggest that the spin-excitation-like bosonic mode within a sign-reversing pairing plays an essential role in monolayer FeTe0.5Se0.5/SrTiO3(001), but also offer the crucial information for investigating the high-temperature superconductivity in interfacial iron selenides. Iron 141-143 spindlin 1 Homo sapiens 38-42 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 77-89 spindlin 1 Homo sapiens 204-208 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 77-89 spindlin 1 Homo sapiens 236-240 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 77-89 spindlin 1 Homo sapiens 236-240 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 218-225 spindlin 1 Homo sapiens 204-208 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 218-225 spindlin 1 Homo sapiens 236-240 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 218-225 spindlin 1 Homo sapiens 236-240 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 83-89 spindlin 1 Homo sapiens 204-208 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 83-89 spindlin 1 Homo sapiens 236-240 32022956-2 2020 Herein a spatial-confinement strategy is reported that synthesizes ultrafine alpha-Fe2 O3 benefiting from nanogrids constructed by predeposition of TiO2 nanodots in the MCM-41 channel, and that tunes the spin-state of Fe(III) from high-spin to low-spin induced by the strong guest-host interaction between the ultrafine Fe2 O3 with SiO2 (MCM-41). Iron 83-89 spindlin 1 Homo sapiens 236-240 32022956-3 2020 The low-spin Fe(III) endorses strong bonding with anionic adsorbates, and significantly facilitates the electrons transfer from Fe2 O3 to SiO2 to form a highly positive charged surface, and thereby shows superior electrostatic multilayer adsorption performance to different kinds of anionic contaminations. Iron 13-20 spindlin 1 Homo sapiens 8-12 32022956-3 2020 The low-spin Fe(III) endorses strong bonding with anionic adsorbates, and significantly facilitates the electrons transfer from Fe2 O3 to SiO2 to form a highly positive charged surface, and thereby shows superior electrostatic multilayer adsorption performance to different kinds of anionic contaminations. Iron 128-134 spindlin 1 Homo sapiens 8-12 31782240-0 2020 Single Crystal X-Ray Diffraction Study of Pressure and Temperature Induced Spin Trapping in a Bistable FeII Hofmann Framework. Iron 103-115 spindlin 1 Homo sapiens 75-79 31782240-1 2020 High-pressure single crystal X-ray diffraction has been used to trap both the low-spin (LS) and high-spin (HS) states of the iron(II) Hofmann spin crossover framework, [FeII(pdm)(H2O) [Ag(CN)2]2 H2O, under identical experimental conditions, allowing the structural changes arising from the spin-transition to be deconvoluted from previously reported thermal effects. Iron 125-133 spindlin 1 Homo sapiens 82-86 31782240-1 2020 High-pressure single crystal X-ray diffraction has been used to trap both the low-spin (LS) and high-spin (HS) states of the iron(II) Hofmann spin crossover framework, [FeII(pdm)(H2O) [Ag(CN)2]2 H2O, under identical experimental conditions, allowing the structural changes arising from the spin-transition to be deconvoluted from previously reported thermal effects. Iron 125-133 spindlin 1 Homo sapiens 101-105 31782240-1 2020 High-pressure single crystal X-ray diffraction has been used to trap both the low-spin (LS) and high-spin (HS) states of the iron(II) Hofmann spin crossover framework, [FeII(pdm)(H2O) [Ag(CN)2]2 H2O, under identical experimental conditions, allowing the structural changes arising from the spin-transition to be deconvoluted from previously reported thermal effects. Iron 125-133 spindlin 1 Homo sapiens 101-105 31782240-1 2020 High-pressure single crystal X-ray diffraction has been used to trap both the low-spin (LS) and high-spin (HS) states of the iron(II) Hofmann spin crossover framework, [FeII(pdm)(H2O) [Ag(CN)2]2 H2O, under identical experimental conditions, allowing the structural changes arising from the spin-transition to be deconvoluted from previously reported thermal effects. Iron 125-133 spindlin 1 Homo sapiens 101-105 32296076-3 2020 Here we report extensive density-functional theory (DFT) calculations and molecular dynamics simulations that show effects of iron (including its coordinate mode and/or spin state) on the dynamics of this reaction: considerably enhancing dynamically stepwise process, broadening entrance channel and narrowing exit channel from concerted asynchronous transition states. Iron 126-130 spindlin 1 Homo sapiens 169-173 31846105-12 2020 Using both approaches we provide here a systematic analysis of three prototypical transition metal-oxo spin-forbidden processes, involving Cr, Fe and Mn, to investigate their implications on reactivity. Iron 143-145 spindlin 1 Homo sapiens 103-107 32075143-6 2020 The samples are paramagnetic at room temperature, but they undergo a spin-glass transition when the temperature drops below 75 K. The magnetic frustration is attributed to the competition of magnetic interactions among the iron moments. Iron 223-227 spindlin 1 Homo sapiens 69-73 32075143-7 2020 There are a superexchange interaction and an indirect exchange interaction that is provided by the spin (and charge) itinerant carriers in a spin-polarized band situated in the vicinity of the Fermi level of the Fe-doped ZnO semiconductor. Iron 193-195 spindlin 1 Homo sapiens 99-103 32075143-7 2020 There are a superexchange interaction and an indirect exchange interaction that is provided by the spin (and charge) itinerant carriers in a spin-polarized band situated in the vicinity of the Fermi level of the Fe-doped ZnO semiconductor. Iron 193-195 spindlin 1 Homo sapiens 141-145 32052980-2 2020 Herein, we demonstrate that spin engineering of trimetallic Pd-Fe-Pt nanomeshes (NMs) can achieve superior enhancement for fuels electrooxidations. Iron 60-68 spindlin 1 Homo sapiens 28-32 31922805-2 2019 We here experimentally observe magnon mediated transport of spin (angular) momentum through a 13.4-nm thin yttrium iron garnet film with full control of the magnetic damping via spin-orbit torque. Iron 115-119 spindlin 1 Homo sapiens 60-64 32013168-0 2020 Iron(II) Spin Crossover Complexes with 4,4"-Dipyridylethyne-Crystal Structures and Spin Crossover with Hysteresis. Iron 0-8 spindlin 1 Homo sapiens 9-13 32013168-0 2020 Iron(II) Spin Crossover Complexes with 4,4"-Dipyridylethyne-Crystal Structures and Spin Crossover with Hysteresis. Iron 0-8 spindlin 1 Homo sapiens 83-87 32013168-1 2020 Three new iron(II) 1D coordination polymers with cooperative spin crossover behavior showing thermal hysteresis loops were synthesized using N2O2 Schiff base-like equatorial ligands and 4,4"-dipyridylethyne as a bridging, rigid axial linker. Iron 10-18 spindlin 1 Homo sapiens 61-65 31820649-5 2020 These results reveal the spin-angular momentum transfer from metallic Pt to a magnetic moment in FePc molecules, which can be used as a spin torque in a molecular system. Iron 97-101 spindlin 1 Homo sapiens 25-29 31820649-5 2020 These results reveal the spin-angular momentum transfer from metallic Pt to a magnetic moment in FePc molecules, which can be used as a spin torque in a molecular system. Iron 97-101 spindlin 1 Homo sapiens 136-140 31633857-0 2019 Slow Dynamics of the Spin-Crossover Process in an Apparent High-Spin Mononuclear Fe(II) Complex. Iron 81-87 spindlin 1 Homo sapiens 21-25 31633857-0 2019 Slow Dynamics of the Spin-Crossover Process in an Apparent High-Spin Mononuclear Fe(II) Complex. Iron 81-87 spindlin 1 Homo sapiens 64-68 31633857-1 2019 A mononuclear Fe(II) complex, that shows a high-spin (S = 2) paramagnetic behavior at all temperatures (with standard temperature scan-rates, of about 1 Kmin -1 ), has indeed a low-spin (S = 0) ground state below 100 K. This low-spin state is not easily accessible due to the extremely slow dynamics of the spin-crossover process. Iron 14-20 spindlin 1 Homo sapiens 48-52 31633857-1 2019 A mononuclear Fe(II) complex, that shows a high-spin (S = 2) paramagnetic behavior at all temperatures (with standard temperature scan-rates, of about 1 Kmin -1 ), has indeed a low-spin (S = 0) ground state below 100 K. This low-spin state is not easily accessible due to the extremely slow dynamics of the spin-crossover process. Iron 14-20 spindlin 1 Homo sapiens 181-185 31633857-1 2019 A mononuclear Fe(II) complex, that shows a high-spin (S = 2) paramagnetic behavior at all temperatures (with standard temperature scan-rates, of about 1 Kmin -1 ), has indeed a low-spin (S = 0) ground state below 100 K. This low-spin state is not easily accessible due to the extremely slow dynamics of the spin-crossover process. Iron 14-20 spindlin 1 Homo sapiens 181-185 31633857-1 2019 A mononuclear Fe(II) complex, that shows a high-spin (S = 2) paramagnetic behavior at all temperatures (with standard temperature scan-rates, of about 1 Kmin -1 ), has indeed a low-spin (S = 0) ground state below 100 K. This low-spin state is not easily accessible due to the extremely slow dynamics of the spin-crossover process. Iron 14-20 spindlin 1 Homo sapiens 181-185 31633857-2 2019 Indeed, a full relaxation of the metastable high-spin state to the low-spin ground state takes more than five hours below 80 K. Bidirectional photoswitching of the Fe(II) state is achieved reproducibly by two selective irradiations (at 530-590 and 830-850 nm). Iron 164-170 spindlin 1 Homo sapiens 49-53 31633857-2 2019 Indeed, a full relaxation of the metastable high-spin state to the low-spin ground state takes more than five hours below 80 K. Bidirectional photoswitching of the Fe(II) state is achieved reproducibly by two selective irradiations (at 530-590 and 830-850 nm). Iron 164-170 spindlin 1 Homo sapiens 71-75 31837665-6 2019 Such variations lead to a weaker coupling with the substrate along with a different local electronic configuration of the Fe center compared with that of the intact case, which is responsible for the suppression of Kondo resonance and the appearance of spin-flip excitation in the system. Iron 122-124 spindlin 1 Homo sapiens 253-257 31690908-1 2019 The structural, magnetic and Mossbauer spectral properties of a double salt, mixed-valent material, [FeII(3,5-Me2TPM)(TPM)][FeIII(azp)2]ClO4 2MeCN, 1, reveal spin transitions occur at both the metal sites, with hysteresis, indicative of 1 being a double spin crossover material. Iron 100-146 spindlin 1 Homo sapiens 158-162 31690908-1 2019 The structural, magnetic and Mossbauer spectral properties of a double salt, mixed-valent material, [FeII(3,5-Me2TPM)(TPM)][FeIII(azp)2]ClO4 2MeCN, 1, reveal spin transitions occur at both the metal sites, with hysteresis, indicative of 1 being a double spin crossover material. Iron 100-146 spindlin 1 Homo sapiens 254-258 31894180-1 2019 Bistable spin crossover complexes such as [Fe{HB(pz)3}2] (pzH = pyrazole) show promise for sensor applications and electrically-controlled data storage units, but exploiting their potential hinges on their integration into a functional environment. Iron 42-56 spindlin 1 Homo sapiens 9-13 31573185-1 2019 The diamagnetic two-dimensional Hofmann-type metal-organic framework [ZnII(2-mpz)2Ni(CN)4] has been successfully synthesized along with its isostructural hysteretic spin-crossover FeII analogue in the form of both bulk microcrystalline powder and nanoparticles. Iron 180-184 spindlin 1 Homo sapiens 165-169 31712673-0 2019 Three port logic gate using forward volume spin wave interference in a thin yttrium iron garnet film. Iron 84-88 spindlin 1 Homo sapiens 43-47 31712673-1 2019 We demonstrate a logic gate based on interference of forward volume spin waves (FVSWs) propagating in a 54 nm thick, 100 mum wide yttrium iron garnet waveguide grown epitaxially on a garnet substrate. Iron 138-142 spindlin 1 Homo sapiens 68-72 31429583-6 2019 In this work, LASSCF is applied to predict spin-state energetics in mono- and di-iron systems, and we show that the model offers an accuracy equivalent to that of CASSCF but at a substantially lower computational cost. Iron 81-85 spindlin 1 Homo sapiens 43-47 31587557-0 2019 Tracking the Metal-Centered Triplet in Photoinduced Spin Crossover of Fe(phen)32+ with Tabletop Femtosecond M-edge XANES. Iron 70-80 spindlin 1 Homo sapiens 52-56 31922861-0 2019 Strain-Induced Spin-Nematic State and Nematic Susceptibility Arising from 2x2 Fe Clusters in KFe_{0.8}Ag_{1.2}Te_{2}. Iron 78-80 spindlin 1 Homo sapiens 15-19 31922861-3 2019 KFe_{0.8}Ag_{1.2}Te_{2} (K_{5}Fe_{4}Ag_{6}Te_{10}, KFAT) is a local-moment magnet consisting of well-separated 2x2 Fe clusters, and in its ground state the clusters order magnetically, breaking both spin-rotational and time-reversal symmetries. Iron 1-3 spindlin 1 Homo sapiens 199-203 31922861-3 2019 KFe_{0.8}Ag_{1.2}Te_{2} (K_{5}Fe_{4}Ag_{6}Te_{10}, KFAT) is a local-moment magnet consisting of well-separated 2x2 Fe clusters, and in its ground state the clusters order magnetically, breaking both spin-rotational and time-reversal symmetries. Iron 30-32 spindlin 1 Homo sapiens 199-203 31922868-0 2019 Ultrasmall Moment Incommensurate Spin Density Wave Order Masking a Ferromagnetic Quantum Critical Point in NbFe_{2}. Iron 107-111 spindlin 1 Homo sapiens 33-37 30974012-0 2019 Unprecedented Five-Coordinate Iron(IV) Imides Generate Divergent Spin States Based on the Imide R-Groups. Iron 30-34 spindlin 1 Homo sapiens 65-69 31265281-0 2019 Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes. Iron 49-53 spindlin 1 Homo sapiens 27-31 31349620-0 2019 Endohedral Fullerene Fe@C28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study. Iron 21-23 spindlin 1 Homo sapiens 77-81 31349620-1 2019 We present a theoretical study on the adsorption and spin transport properties of magnetic Fe@C28 using Ab initio calculations based on spin density functional theory and non-equilibrium Green"s function techniques. Iron 91-93 spindlin 1 Homo sapiens 53-57 31349620-1 2019 We present a theoretical study on the adsorption and spin transport properties of magnetic Fe@C28 using Ab initio calculations based on spin density functional theory and non-equilibrium Green"s function techniques. Iron 91-93 spindlin 1 Homo sapiens 136-140 31349620-2 2019 Fe@C28 tends to adsorb on the bridge sites in the manner of C-C bonds, and the spin-resolved transmission spectra of Fe@C28 molecular junctions exhibit robust transport spin polarization (TSP). Iron 0-2 spindlin 1 Homo sapiens 169-173 31349620-2 2019 Fe@C28 tends to adsorb on the bridge sites in the manner of C-C bonds, and the spin-resolved transmission spectra of Fe@C28 molecular junctions exhibit robust transport spin polarization (TSP). Iron 117-119 spindlin 1 Homo sapiens 79-83 31349620-2 2019 Fe@C28 tends to adsorb on the bridge sites in the manner of C-C bonds, and the spin-resolved transmission spectra of Fe@C28 molecular junctions exhibit robust transport spin polarization (TSP). Iron 117-119 spindlin 1 Homo sapiens 169-173 31349620-3 2019 Under small bias voltage, the transport properties of Fe@C28 are mainly determined by the spin-down channel and exhibit a large spin polarization. Iron 54-56 spindlin 1 Homo sapiens 90-94 31349620-3 2019 Under small bias voltage, the transport properties of Fe@C28 are mainly determined by the spin-down channel and exhibit a large spin polarization. Iron 54-56 spindlin 1 Homo sapiens 128-132 31386535-0 2019 Femtosecond Laser-Excitation-Driven High Frequency Standing Spin Waves in Nanoscale Dielectric Thin Films of Iron Garnets. Iron 109-113 spindlin 1 Homo sapiens 60-64 31241335-5 2019 The data show the typical average Fe-ligand bond length elongation of ~0.18 A for a 5T2 state and suggest a high anisotropy of the primary coordination sphere around the metal center in the excited 5T2 state, in stark contrast to the nearly perfect octahedral symmetry that characterizes the low-spin 1A1 ground state structure. Iron 34-36 spindlin 1 Homo sapiens 296-300 31322366-1 2019 Spin waves are investigated in yttrium iron garnet waveguides with a thickness of 39 nm and widths ranging down to 50 nm, i.e., with an aspect ratio thickness over width approaching unity, using Brillouin light scattering spectroscopy. Iron 39-43 spindlin 1 Homo sapiens 0-4 30974012-2 2019 These novel structures have disparate spin states on the iron as a function of the R-group attached to the imide, with alkyl groups leading to low-spin diamagnetic (S=0) complexes and an aryl group leading to an intermediate-spin (S=1) complex. Iron 57-61 spindlin 1 Homo sapiens 38-42 30974012-2 2019 These novel structures have disparate spin states on the iron as a function of the R-group attached to the imide, with alkyl groups leading to low-spin diamagnetic (S=0) complexes and an aryl group leading to an intermediate-spin (S=1) complex. Iron 57-61 spindlin 1 Homo sapiens 147-151 30974012-2 2019 These novel structures have disparate spin states on the iron as a function of the R-group attached to the imide, with alkyl groups leading to low-spin diamagnetic (S=0) complexes and an aryl group leading to an intermediate-spin (S=1) complex. Iron 57-61 spindlin 1 Homo sapiens 147-151 30974012-3 2019 The different spin states lead to significant differences in the bonding about the iron center as well as the spectroscopic properties of these complexes. Iron 83-87 spindlin 1 Homo sapiens 14-18 31034107-1 2019 Using ultrafast optical absorption spectroscopy, the room-temperature spin-state switching dynamics induced by a femtosecond laser pulse in high-quality thin films of the molecular spin-crossover (SCO) complex [Fe(HB(tz)3 )2 ] (tz = 1,2,4-triazol-1-yl) are studied. Iron 211-213 spindlin 1 Homo sapiens 70-74 31034107-1 2019 Using ultrafast optical absorption spectroscopy, the room-temperature spin-state switching dynamics induced by a femtosecond laser pulse in high-quality thin films of the molecular spin-crossover (SCO) complex [Fe(HB(tz)3 )2 ] (tz = 1,2,4-triazol-1-yl) are studied. Iron 211-213 spindlin 1 Homo sapiens 181-185 31041303-4 2019 For example, Fe/N-doped graphitic SACs have exhibited spin-state dependent reactivity that remains poorly understood. Iron 13-15 spindlin 1 Homo sapiens 54-58 30883126-3 2019 Here we report on the investigation of "frozen" metallic centers in nanoparticles (2-80 nm size) of the spin-crossover compound Fe(pyrazine)[Ni(CN)4]. Iron 128-130 spindlin 1 Homo sapiens 104-108 30860817-4 2019 Magnetic studies identified gradual and half-complete thermal spin crossover in the tetranuclear grid 1, where 50% of ferrous atoms exhibit thermal as well as photoinduced spin state switching and the remaining half of iron(II) centers are permanently blocked in their high-spin state. Iron 219-223 spindlin 1 Homo sapiens 62-66 30860817-6 2019 Analysis of the magnetic data reveals the zero-field splitting parameter D 6-8 cm-1 with a large rhombicity for all high-spin iron(II) atoms in 1 or 2. Iron 131-135 spindlin 1 Homo sapiens 126-130 31012640-4 2019 This new artificial material can generate a large spin-orbit torque to switch an adjacent Fe layer. Iron 90-92 spindlin 1 Homo sapiens 50-54 30932666-0 2019 Evidence for Spin-Triplet Electron Pairing in the Proximity-Induced Superconducting State of an Fe-Doped InAs Semiconductor. Iron 96-98 spindlin 1 Homo sapiens 13-17 30932666-1 2019 We provide evidence for spin-triplet electron pairing in proximity-induced superconductivity in a ferromagnetic semiconductor (In,Fe)As. Iron 130-132 spindlin 1 Homo sapiens 24-28 30403845-5 2018 In contrast, the mean Fe-N distances and Fe-N-Fe angles correlate linearly with the [Fe6] oxidation level, or alternatively, the changes observed within the local Fe-N4 coordination planes vary linearly with the aggregate spin ground state. Iron 22-24 spindlin 1 Homo sapiens 223-227 30381942-5 2018 Consequently, the two adjacent Fe atoms feature unique oscillatory long-range spin coupling. Iron 31-33 spindlin 1 Homo sapiens 78-82 30403845-0 2018 Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters. Iron 59-63 spindlin 1 Homo sapiens 26-30 30403845-13 2018 The large spin ground states, indicative of strong ferromagnetic electronic alignment of the valence electrons, result from strong direct exchange electronic coupling mediated by Fe-Fe orbital overlap within the [Fe6] cores, equivalent to a strong double exchange magnetic coupling B for 3 that was calculated to be 309 cm-1. Iron 179-181 spindlin 1 Homo sapiens 10-14 30403845-13 2018 The large spin ground states, indicative of strong ferromagnetic electronic alignment of the valence electrons, result from strong direct exchange electronic coupling mediated by Fe-Fe orbital overlap within the [Fe6] cores, equivalent to a strong double exchange magnetic coupling B for 3 that was calculated to be 309 cm-1. Iron 182-184 spindlin 1 Homo sapiens 10-14 29874065-3 2018 The deprotonation patterns have been determined by X-ray crystallography and 1H NMR spectroscopy and discussed in relation to the spin state of the iron(II) centers, which influences greatly the p Ka of the ligand. Iron 148-152 spindlin 1 Homo sapiens 130-134 30079725-2 2018 Until now, epitaxial yttrium iron garnet (YIG) films grown on gadolinium gallium garnet (GGG) substrates by a pulsed laser deposition have been most widely used for spin thermoelectric energy conversion studies. Iron 29-33 spindlin 1 Homo sapiens 165-169 30085777-0 2018 Spin-Orbit Coupling and Magnetic Anisotropy in Iron-Based Superconductors. Iron 47-51 spindlin 1 Homo sapiens 0-4 30085777-1 2018 We determine theoretically the effect of spin-orbit coupling on the magnetic excitation spectrum of itinerant multiorbital systems, with specific application to iron-based superconductors. Iron 161-165 spindlin 1 Homo sapiens 41-45 30186827-4 2018 The main structural modifications, when passing from the low-spin to the high-spin form, consist of an important lengthening of the Fe-N(Mebik) and Fe-N (C-S/Se) distances (by ca. Iron 132-136 spindlin 1 Homo sapiens 61-65 30186827-4 2018 The main structural modifications, when passing from the low-spin to the high-spin form, consist of an important lengthening of the Fe-N(Mebik) and Fe-N (C-S/Se) distances (by ca. Iron 132-136 spindlin 1 Homo sapiens 78-82 30186827-4 2018 The main structural modifications, when passing from the low-spin to the high-spin form, consist of an important lengthening of the Fe-N(Mebik) and Fe-N (C-S/Se) distances (by ca. Iron 148-152 spindlin 1 Homo sapiens 61-65 30186827-4 2018 The main structural modifications, when passing from the low-spin to the high-spin form, consist of an important lengthening of the Fe-N(Mebik) and Fe-N (C-S/Se) distances (by ca. Iron 148-152 spindlin 1 Homo sapiens 78-82 29980749-3 2018 Here using a Fe/Al2O3/BN tunnel barrier, we demonstrate both effects in a single device in Bi2Te3: the electrical detection of the spin accumulation generated by an unpolarized current flowing through the surface states, and that of the charge accumulation generated by spins injected into the surface state system. Iron 13-15 spindlin 1 Homo sapiens 131-135 29797729-0 2018 Ultrafast Photoinduced Multimode Antiferromagnetic Spin Dynamics in Exchange-Coupled Fe/RFeO3 (R = Er or Dy) Heterostructures. Iron 85-87 spindlin 1 Homo sapiens 51-55 29797729-2 2018 Here, the photoinduced excitation of ultrafast antiferromagnetic spin dynamics is achieved by capping antiferromagnetic RFeO3 (R = Er or Dy) with an exchange-coupled ferromagnetic Fe film. Iron 121-123 spindlin 1 Homo sapiens 65-69 30004765-0 2018 Odd and Even Modes of Neutron Spin Resonance in the Bilayer Iron-Based Superconductor CaKFe_{4}As_{4}. Iron 60-64 spindlin 1 Homo sapiens 30-34 29614218-7 2018 We demonstrate that this approach is efficient by studying the spin state energetics of a series of iron complexes modeling important intermediates in oxidative catalytic processes in chemistry and biochemistry. Iron 100-104 spindlin 1 Homo sapiens 63-67 29489330-2 2018 Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe porphyrin molecule in the force field of the tip of a scanning tunneling microscope. Iron 88-90 spindlin 1 Homo sapiens 65-69 28984392-0 2018 Spin-State Energetics of Fe Complexes from an Optimally Tuned Range-Separated Hybrid Functional. Iron 25-27 spindlin 1 Homo sapiens 0-4 29466854-4 2018 Here, we show that the spin states of iron atoms adsorbed directly on a conductive platinum substrate have a surprisingly long spin-relaxation time in the nanosecond regime, which is comparable to that of a transition metal atom decoupled from the substrate electrons by a thin decoupling layer. Iron 38-42 spindlin 1 Homo sapiens 23-27 29466854-4 2018 Here, we show that the spin states of iron atoms adsorbed directly on a conductive platinum substrate have a surprisingly long spin-relaxation time in the nanosecond regime, which is comparable to that of a transition metal atom decoupled from the substrate electrons by a thin decoupling layer. Iron 38-42 spindlin 1 Homo sapiens 127-131 29188831-3 2017 The characteristics of current-voltage and spin-resolved transmission spectra pointed out that Ni complexes are non-polarized, while Fe and Mn complexes exhibit high polarization and can be regarded as excellent candidates for spin-filtering materials with high spin-filtering efficiency. Iron 133-135 spindlin 1 Homo sapiens 227-231 29232947-4 2018 We use a scanning tunneling microscope to trap a meso-substituted iron porphyrin, putting the iron center in an environment that provides control of its charge and spin states. Iron 66-70 spindlin 1 Homo sapiens 164-168 29091051-1 2017 Spin- and angle-resolved photoemission spectroscopy of thin Ag(1 1 1) films on ferromagnetic Fe(1 1 0) shows a series of spin-polarized peaks. Iron 93-95 spindlin 1 Homo sapiens 0-4 29381341-2 2018 The combination of iron with the non-innocent bis(imino)pyridine ligand permits comparison of catalytic activity as a function of oxidation state (and overall spin state). Iron 19-23 spindlin 1 Homo sapiens 159-163 29384663-5 2018 Additionally, determination of the spin state of iron is possible by comparing the characteristic shifts of spin and oxidation-state-sensitive marker bands in the Raman spectrum with calculations of planar porphyrin model structures. Iron 49-53 spindlin 1 Homo sapiens 35-39 29384663-5 2018 Additionally, determination of the spin state of iron is possible by comparing the characteristic shifts of spin and oxidation-state-sensitive marker bands in the Raman spectrum with calculations of planar porphyrin model structures. Iron 49-53 spindlin 1 Homo sapiens 108-112 29352149-1 2018 We experimentally study nanowire-shaped spin-Hall nano-oscillators based on nanometer-thick epitaxial films of Yttrium Iron Garnet grown on top of a layer of Pt. Iron 119-123 spindlin 1 Homo sapiens 40-44 29091051-1 2017 Spin- and angle-resolved photoemission spectroscopy of thin Ag(1 1 1) films on ferromagnetic Fe(1 1 0) shows a series of spin-polarized peaks. Iron 93-95 spindlin 1 Homo sapiens 121-125 29188831-3 2017 The characteristics of current-voltage and spin-resolved transmission spectra pointed out that Ni complexes are non-polarized, while Fe and Mn complexes exhibit high polarization and can be regarded as excellent candidates for spin-filtering materials with high spin-filtering efficiency. Iron 133-135 spindlin 1 Homo sapiens 227-231 29286823-0 2017 Switching Magnetism and Superconductivity with Spin-Polarized Current in Iron-Based Superconductor. Iron 73-77 spindlin 1 Homo sapiens 47-51 29286823-1 2017 We explore a new mechanism for switching magnetism and superconductivity in a magnetically frustrated iron-based superconductor using spin-polarized scanning tunneling microscopy (SPSTM). Iron 102-106 spindlin 1 Homo sapiens 134-138 29286823-5 2017 These results suggest a new possibility of switching local superconductivity by changing the symmetry of magnetic order with spin-polarized and unpolarized tunneling currents in iron-based superconductors. Iron 178-182 spindlin 1 Homo sapiens 125-129 29049878-5 2017 Across a number of model iron complexes, we observe strong exchange sensitivities of reaction barriers and energies that are of the same magnitude as those for spin splitting energies. Iron 25-29 spindlin 1 Homo sapiens 160-164 28777558-0 2017 High-Spin Iron Imido Complexes Competent for C-H Bond Amination. Iron 10-14 spindlin 1 Homo sapiens 5-9 29017326-0 2017 Mechanism of Nakamura"s Bisphosphine-Iron-Catalyzed Asymmetric C(sp2)-C(sp3) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways. Iron 37-41 spindlin 1 Homo sapiens 114-118 28678017-1 2017 Ultrafast spin currents induced by femtosecond laser excitation of ferromagnetic metals have been found to contribute to sub-picosecond demagnetization, and to cause a transient enhancement of the magnetization of the bottom Fe layer in a Ni/Ru/Fe layered structure. Iron 225-227 spindlin 1 Homo sapiens 10-14 28678017-1 2017 Ultrafast spin currents induced by femtosecond laser excitation of ferromagnetic metals have been found to contribute to sub-picosecond demagnetization, and to cause a transient enhancement of the magnetization of the bottom Fe layer in a Ni/Ru/Fe layered structure. Iron 245-247 spindlin 1 Homo sapiens 10-14 28678017-4 2017 In the latter, the spin-scattering Ta layer suppresses spin currents from the Ni layer into Fe, consistent with previous results. Iron 92-94 spindlin 1 Homo sapiens 19-23 28678017-4 2017 In the latter, the spin-scattering Ta layer suppresses spin currents from the Ni layer into Fe, consistent with previous results. Iron 92-94 spindlin 1 Homo sapiens 55-59 28678017-5 2017 Any spin current arriving in the lower Fe layer will counteract other, local demagnetization mechanisms such as phonon-mediated spin-flip scattering. Iron 39-41 spindlin 1 Homo sapiens 4-8 28678017-5 2017 Any spin current arriving in the lower Fe layer will counteract other, local demagnetization mechanisms such as phonon-mediated spin-flip scattering. Iron 39-41 spindlin 1 Homo sapiens 128-132 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 33-35 spindlin 1 Homo sapiens 89-93 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 33-35 spindlin 1 Homo sapiens 181-185 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 63-65 spindlin 1 Homo sapiens 89-93 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 63-65 spindlin 1 Homo sapiens 181-185 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 63-65 spindlin 1 Homo sapiens 89-93 28678017-6 2017 We find by increasing the Ni and Fe layer thicknesses in Ni/Ru/Fe a decreasing effect of spin currents on the buried Fe layer, consistent with a mean free path of the laser-induced spin currents of just a few nm. Iron 63-65 spindlin 1 Homo sapiens 181-185 28777558-1 2017 Reduction of previously reported (ArL)FeCl with potassium graphite furnished a low-spin (S = 1/2) iron complex (ArL)Fe which features an intramolecular eta6-arene interaction and can be utilized as an FeI synthon (ArL = 5-mesityl-1,9-(2,4,6-Ph3C6H2)dipyrrin). Iron 98-102 spindlin 1 Homo sapiens 83-87 28777558-1 2017 Reduction of previously reported (ArL)FeCl with potassium graphite furnished a low-spin (S = 1/2) iron complex (ArL)Fe which features an intramolecular eta6-arene interaction and can be utilized as an FeI synthon (ArL = 5-mesityl-1,9-(2,4,6-Ph3C6H2)dipyrrin). Iron 38-40 spindlin 1 Homo sapiens 83-87 28660875-0 2017 Imaging the real space structure of the spin fluctuations in an iron-based superconductor. Iron 64-68 spindlin 1 Homo sapiens 40-44 28777635-1 2017 Spin-polarized scanning tunneling microscopy investigations reveal a significant increase of the magnetic period of spin spirals in three-atomic-layer-thick Fe films on Ir(111), from about 4 nm at 8 K to about 65 nm at room temperature. Iron 157-159 spindlin 1 Homo sapiens 0-4 28777635-1 2017 Spin-polarized scanning tunneling microscopy investigations reveal a significant increase of the magnetic period of spin spirals in three-atomic-layer-thick Fe films on Ir(111), from about 4 nm at 8 K to about 65 nm at room temperature. Iron 157-159 spindlin 1 Homo sapiens 116-120 28777635-2 2017 We attribute this considerable influence of temperature on the magnetic length scale of noncollinear spin states to different exchange interaction coefficients in the different Fe layers. Iron 177-179 spindlin 1 Homo sapiens 101-105 28731774-4 2017 Considering the calculated spin-dependent Fe/Au interface transmittance we conclude that a nonthermal spin-dependent Seebeck effect is responsible for the generation of ultrashort spin current pulses. Iron 42-44 spindlin 1 Homo sapiens 27-31 28731774-4 2017 Considering the calculated spin-dependent Fe/Au interface transmittance we conclude that a nonthermal spin-dependent Seebeck effect is responsible for the generation of ultrashort spin current pulses. Iron 42-44 spindlin 1 Homo sapiens 102-106 28731774-4 2017 Considering the calculated spin-dependent Fe/Au interface transmittance we conclude that a nonthermal spin-dependent Seebeck effect is responsible for the generation of ultrashort spin current pulses. Iron 42-44 spindlin 1 Homo sapiens 102-106 28731774-5 2017 The demonstrated rotation of spin polarization of hot electrons upon interaction with noncollinear magnetization at Au/Fe interfaces holds high potential for future spintronic devices. Iron 119-121 spindlin 1 Homo sapiens 29-33 28498652-6 2017 This conformational change shortens the Fe-N bonds by 3%, which changes the Fe spin state from S = 2 to S = 1. Iron 40-44 spindlin 1 Homo sapiens 79-83 28498652-6 2017 This conformational change shortens the Fe-N bonds by 3%, which changes the Fe spin state from S = 2 to S = 1. Iron 40-42 spindlin 1 Homo sapiens 79-83 28660875-1 2017 Spin fluctuations are a leading candidate for the pairing mechanism in high temperature superconductors, supported by the common appearance of a distinct resonance in the spin susceptibility across the cuprates, iron-based superconductors and many heavy fermion materials. Iron 212-216 spindlin 1 Homo sapiens 0-4 28660875-1 2017 Spin fluctuations are a leading candidate for the pairing mechanism in high temperature superconductors, supported by the common appearance of a distinct resonance in the spin susceptibility across the cuprates, iron-based superconductors and many heavy fermion materials. Iron 212-216 spindlin 1 Homo sapiens 171-175 28328227-8 2017 Thus, the transient absorption spectra of these model compounds reveal the involvement of multiple iron spin states in the electronic relaxation dynamics, which could be an alternative pathway to the ground state beside the vibrational cooling processes and associated with the inherent features of the heme b type. Iron 99-103 spindlin 1 Homo sapiens 104-108 28457138-3 2017 The rise in the spin-up conductivity up to the bias voltage of 0.4 V is dominated by a conductive lowest unoccupied molecular orbital, and this is accompanied by a slight increase in the magnetic moment of the Fe atom. Iron 210-212 spindlin 1 Homo sapiens 16-20 28262877-5 2017 Spin-splitting and spin-degenerate bands are realized in Ti-, V-, Cr-, Mn-, Fe-, and Co- and Sc-, Ni-, Cu-, and Zn-adsorbed systems, respectively. Iron 76-78 spindlin 1 Homo sapiens 0-4 28262877-5 2017 Spin-splitting and spin-degenerate bands are realized in Ti-, V-, Cr-, Mn-, Fe-, and Co- and Sc-, Ni-, Cu-, and Zn-adsorbed systems, respectively. Iron 76-78 spindlin 1 Homo sapiens 19-23 28004874-3 2017 Here we apply ultrafast XUV (extreme ultraviolet) photoemission spectroscopy to track the low-to-high spin dynamics in the aqueous iron tris-bipyridine complex, [Fe(bpy)3 ]2+ , by monitoring the transient electron density distribution among excited states with femtosecond time resolution. Iron 131-135 spindlin 1 Homo sapiens 102-106 27417666-1 2017 The host-guest composites of Hofmann-type iron(II) spin-transition (ST) porous coordination polymers incorporating guest molecules show guest-dependent ST behavior in accordance with the respective guest species, which may be a gas, solvent, halogen, or organic molecule. Iron 42-46 spindlin 1 Homo sapiens 51-55 28125220-3 2017 Furthermore, we show the assignment of the spin state of the complexes based on the vibrational modes of a coordinated anion and compare reactivities of various iron(IV)-oxo complexes generated as dications or monocations (bearing an anionic ligand). Iron 161-165 spindlin 1 Homo sapiens 43-47 28073261-1 2017 Magnetic insulators, such as yttrium iron garnet (Y3Fe5O12), are ideal materials for ultralow power spintronics applications due to their low energy dissipation and efficient spin current generation and transmission. Iron 37-41 spindlin 1 Homo sapiens 100-104 28211731-2 2017 The measured time evolution of spin accumulation induced by laser excitation indicates transfer of angular momentum across normal metal/Y_{3}Fe_{5}O_{12} interfaces on a picosecond time scale, too short for contributions from a bulk temperature gradient in an yttrium iron garnet. Iron 268-272 spindlin 1 Homo sapiens 31-35 27682429-4 2016 In contrast, such counterions as I5 , I3 , BF4 , SbF6 , and PF6 are found to be tightly associated with one of the porphyrin rings and, therefore, stabilize two different spin states of iron in one molecule. Iron 186-190 spindlin 1 Homo sapiens 171-175 27918126-4 2017 Here, the synthesis of a versatile collection of trityl spin labels and their application in in vitro and in-cell trityl-iron distance measurements on a cytochrome P450 protein are described. Iron 121-125 spindlin 1 Homo sapiens 56-60 27682429-5 2016 A spectroscopic investigation of 2 TNP has revealed the presence of two equivalent iron centers with a high-spin state (S=5/2) in the solid state that converts to intermediate spin (S=3/2) in solution. Iron 83-87 spindlin 1 Homo sapiens 108-112 27682429-5 2016 A spectroscopic investigation of 2 TNP has revealed the presence of two equivalent iron centers with a high-spin state (S=5/2) in the solid state that converts to intermediate spin (S=3/2) in solution. Iron 83-87 spindlin 1 Homo sapiens 176-180 27555240-2 2016 Spectroscopic characterization has revealed that the iron centers of the bischloro and mu-oxo complexes are in the high-spin state (S=(5) /2 ). Iron 53-57 spindlin 1 Homo sapiens 120-124 27739682-5 2016 We found several crossings between the lowest energy spin states associated with the changes in Fe coordination. Iron 96-98 spindlin 1 Homo sapiens 53-57 27632358-0 2016 Coupling of Coexisting Noncollinear Spin States in the Fe Monolayer on Re(0001). Iron 55-57 spindlin 1 Homo sapiens 36-40 27632358-1 2016 Spin-polarized scanning tunneling microscopy is used to investigate the magnetic state of the Fe monolayer on Re(0001). Iron 94-96 spindlin 1 Homo sapiens 0-4 27658969-4 2016 Combined with the first-principle calculations, the results suggest that the bonding with Fe and Ga or As ions and the ionic distortion near the interface, as well as the FeO defects and oxygen vacancies, may increase the spin-orbit coupling in ultrathin Fe3O4 epitaxial films and in turn provide an enhanced damping. Iron 90-92 spindlin 1 Homo sapiens 222-226 27555240-3 2016 However, the two iron centers in the diiron(III) mu-hydroxo complexes are equivalent with high spin (S=(5) /2 ) in the solid state and an intermediate-spin state (S=(3) /2 ) in solution. Iron 17-21 spindlin 1 Homo sapiens 95-99 27555240-3 2016 However, the two iron centers in the diiron(III) mu-hydroxo complexes are equivalent with high spin (S=(5) /2 ) in the solid state and an intermediate-spin state (S=(3) /2 ) in solution. Iron 17-21 spindlin 1 Homo sapiens 151-155 27626109-0 2016 Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States. Iron 26-30 spindlin 1 Homo sapiens 58-62 27626109-5 2016 Zero- and applied-field Mossbauer spectra corroborate the presence of distinct oxidation and spin states for the iron sites. Iron 113-117 spindlin 1 Homo sapiens 93-97 27434063-0 2016 High-Spin Iron(I) and Iron(0) Dinitrogen Complexes Supported by N-Heterocyclic Carbene Ligands. Iron 22-26 spindlin 1 Homo sapiens 5-9 27647917-2 2016 Our data reconcile the apparently discrepant existing dataset, by clarifying the effects of spin (high/low) and valence (ferrous/ferric) states on iron partitioning in the deep mantle. Iron 147-151 spindlin 1 Homo sapiens 92-96 27434063-1 2016 The use of 1,3-dicyclohexylimidazol-2-ylidene (ICy) as ligand has enabled the preparation of the high-spin tetrahedral iron(I)- and iron(0)-N2 complexes, namely [(ICy)3 Fe(N2 )][BPh4 ] (1) and [(ICy)3 Fe(N2 )] (2), the electronic structures of which have been established by various spectroscopic characterization and DFT calculations. Iron 119-123 spindlin 1 Homo sapiens 102-106 27434063-0 2016 High-Spin Iron(I) and Iron(0) Dinitrogen Complexes Supported by N-Heterocyclic Carbene Ligands. Iron 10-14 spindlin 1 Homo sapiens 5-9 27434063-1 2016 The use of 1,3-dicyclohexylimidazol-2-ylidene (ICy) as ligand has enabled the preparation of the high-spin tetrahedral iron(I)- and iron(0)-N2 complexes, namely [(ICy)3 Fe(N2 )][BPh4 ] (1) and [(ICy)3 Fe(N2 )] (2), the electronic structures of which have been established by various spectroscopic characterization and DFT calculations. Iron 132-136 spindlin 1 Homo sapiens 102-106 27434063-2 2016 The frequency of the N-N stretching resonance of the iron(0)-N2 complex is the lowest among the reported terminal N2 complexes of iron, signifying the beneficial roles of strongly sigma-donating ligands in combination with the high-spin low-valent iron center in promoting N2 -activation. Iron 53-57 spindlin 1 Homo sapiens 232-236 27434063-2 2016 The frequency of the N-N stretching resonance of the iron(0)-N2 complex is the lowest among the reported terminal N2 complexes of iron, signifying the beneficial roles of strongly sigma-donating ligands in combination with the high-spin low-valent iron center in promoting N2 -activation. Iron 130-134 spindlin 1 Homo sapiens 232-236 27143686-5 2016 Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-x Fe x )0.75B0.2Si0.05]96Cr4. Iron 51-53 spindlin 1 Homo sapiens 0-4 27615691-0 2016 Spin excitations in hole-overdoped iron-based superconductors. Iron 35-39 spindlin 1 Homo sapiens 0-4 27615691-4 2016 Here we report a study on the spin fluctuations of the hole-overdoped iron-based superconductors Ba1-xKxFe2As2 (x = 0.5 and 1.0; Tc = 36 K and 3.4 K, respectively) over the entire Brillouin zone using inelastic neutron scattering. Iron 70-74 spindlin 1 Homo sapiens 30-34 27432047-3 2016 Here, we provide evidence of two-terminal electrical spin injection and detection in Fe/GaAs/Fe vertical spin-valves (SVs) with the GaAs layer of 50 nanometers thick and top and bottom Fe electrodes deposited by molecular beam epitaxy. Iron 85-87 spindlin 1 Homo sapiens 53-57 27432047-3 2016 Here, we provide evidence of two-terminal electrical spin injection and detection in Fe/GaAs/Fe vertical spin-valves (SVs) with the GaAs layer of 50 nanometers thick and top and bottom Fe electrodes deposited by molecular beam epitaxy. Iron 85-87 spindlin 1 Homo sapiens 105-109 27432047-4 2016 The spin-valve effect, which corresponds to the individual switching of the top and bottom Fe layers, is bias dependent and observed up to 20 K. We propose that the strongly bias- and temperature-dependent MR is associated with spin transport at the interfacial Fe/GaAs Schottky contacts and in the GaAs membranes, where balance between the barrier profiles as well as the dwell time to spin lifetime ratio are crucial factors for determining the device operations. Iron 91-93 spindlin 1 Homo sapiens 4-8 27432047-4 2016 The spin-valve effect, which corresponds to the individual switching of the top and bottom Fe layers, is bias dependent and observed up to 20 K. We propose that the strongly bias- and temperature-dependent MR is associated with spin transport at the interfacial Fe/GaAs Schottky contacts and in the GaAs membranes, where balance between the barrier profiles as well as the dwell time to spin lifetime ratio are crucial factors for determining the device operations. Iron 91-93 spindlin 1 Homo sapiens 228-232 27432047-4 2016 The spin-valve effect, which corresponds to the individual switching of the top and bottom Fe layers, is bias dependent and observed up to 20 K. We propose that the strongly bias- and temperature-dependent MR is associated with spin transport at the interfacial Fe/GaAs Schottky contacts and in the GaAs membranes, where balance between the barrier profiles as well as the dwell time to spin lifetime ratio are crucial factors for determining the device operations. Iron 91-93 spindlin 1 Homo sapiens 228-232 27101151-1 2016 Although the interaction of low-spin ferric complexes with nitric oxide has been well studied, examples of stable high-spin ferric nitrosyls (such as those that could be expected to form at typical non-heme iron sites in biology) are extremely rare. Iron 207-211 spindlin 1 Homo sapiens 119-123 27159412-9 2016 A theoretical model that considers spin-dependent electron transfer for the cases where the doubly occupied pi* orbital of the superoxo ligand is either "in" or "out" of the plane defined by the bent Fe-OO moiety correctly predicts that 1 has an S = 3 ground state, in contrast to the density functional theory calculations for 1, which give a ground state with both the wrong spin and orbital configuration. Iron 200-202 spindlin 1 Homo sapiens 35-39 27159412-9 2016 A theoretical model that considers spin-dependent electron transfer for the cases where the doubly occupied pi* orbital of the superoxo ligand is either "in" or "out" of the plane defined by the bent Fe-OO moiety correctly predicts that 1 has an S = 3 ground state, in contrast to the density functional theory calculations for 1, which give a ground state with both the wrong spin and orbital configuration. Iron 200-202 spindlin 1 Homo sapiens 377-381 27101151-4 2016 The data show that its electronic structure is best described as a high-spin iron(IV) center bound to a triplet NO(-) ligand with a very covalent iron-NO bond. Iron 77-81 spindlin 1 Homo sapiens 72-76 27101151-4 2016 The data show that its electronic structure is best described as a high-spin iron(IV) center bound to a triplet NO(-) ligand with a very covalent iron-NO bond. Iron 146-150 spindlin 1 Homo sapiens 72-76 27101151-5 2016 This finding demonstrates that this high-spin iron nitrosyl compound undergoes iron-centered redox chemistry, leading to fundamentally different properties than corresponding low-spin compounds, which undergo NO-centered redox transformations. Iron 46-50 spindlin 1 Homo sapiens 41-45 27101151-5 2016 This finding demonstrates that this high-spin iron nitrosyl compound undergoes iron-centered redox chemistry, leading to fundamentally different properties than corresponding low-spin compounds, which undergo NO-centered redox transformations. Iron 46-50 spindlin 1 Homo sapiens 179-183 27101151-5 2016 This finding demonstrates that this high-spin iron nitrosyl compound undergoes iron-centered redox chemistry, leading to fundamentally different properties than corresponding low-spin compounds, which undergo NO-centered redox transformations. Iron 79-83 spindlin 1 Homo sapiens 41-45 27101151-5 2016 This finding demonstrates that this high-spin iron nitrosyl compound undergoes iron-centered redox chemistry, leading to fundamentally different properties than corresponding low-spin compounds, which undergo NO-centered redox transformations. Iron 79-83 spindlin 1 Homo sapiens 179-183 27152812-4 2016 Using spin pumping from an yttrium iron garnet ferrimagnetic insulator and ionic liquid top gate, we determined that the inverse spin Hall effect is the dominant spin-charge conversion mechanism in single-layer graphene. Iron 35-39 spindlin 1 Homo sapiens 6-10 27074728-3 2016 The transition to the high-spin state is accompanied by an increase in Fe-N bond lengths and a concomitant contraction of intraligand N-N bonds. Iron 71-75 spindlin 1 Homo sapiens 27-31 27203336-1 2016 We report a large enhancement of thermally injected spin current in normal metal (NM)/antiferromagnet (AF)/yttrium iron garnet (YIG), where a thin AF insulating layer of NiO or CoO can enhance the spin current from YIG to a NM by up to a factor of 10. Iron 115-119 spindlin 1 Homo sapiens 52-56 27152812-4 2016 Using spin pumping from an yttrium iron garnet ferrimagnetic insulator and ionic liquid top gate, we determined that the inverse spin Hall effect is the dominant spin-charge conversion mechanism in single-layer graphene. Iron 35-39 spindlin 1 Homo sapiens 129-133 27152812-4 2016 Using spin pumping from an yttrium iron garnet ferrimagnetic insulator and ionic liquid top gate, we determined that the inverse spin Hall effect is the dominant spin-charge conversion mechanism in single-layer graphene. Iron 35-39 spindlin 1 Homo sapiens 129-133 27042863-3 2016 Most of the reported iron complexes undergo spin crossover at temperatures near or above room temperature in solution and in the solid state. Iron 21-25 spindlin 1 Homo sapiens 44-48 27042863-4 2016 The change in spin state coincides with a significant change in the degree of pi-bonding between Fe and the bound N atom of the phosphiniminato ligand. Iron 97-99 spindlin 1 Homo sapiens 14-18 26919583-1 2016 The nonheme iron complex, [Fe(NO)(N3PyS)]BF4, is a rare example of an {FeNO}(7) species that exhibits spin-crossover behavior. Iron 12-16 spindlin 1 Homo sapiens 102-106 26991042-0 2016 Direct Observation of Ordered High-Spin-Low-Spin Intermediate States of an Iron(III) Three-Step Spin-Crossover Complex. Iron 75-79 spindlin 1 Homo sapiens 35-39 26991042-0 2016 Direct Observation of Ordered High-Spin-Low-Spin Intermediate States of an Iron(III) Three-Step Spin-Crossover Complex. Iron 75-79 spindlin 1 Homo sapiens 44-48 26991042-0 2016 Direct Observation of Ordered High-Spin-Low-Spin Intermediate States of an Iron(III) Three-Step Spin-Crossover Complex. Iron 75-79 spindlin 1 Homo sapiens 44-48 26990105-4 2016 The results from single-reference and multireference methods are cross-checked, and the amount of multireference character for both considered spin states of [Fe(H2O)6](3+) is carefully analyzed. Iron 159-161 spindlin 1 Homo sapiens 143-147 26913489-0 2016 Theoretical Study of Spin Crossover in 30 Iron Complexes. Iron 42-46 spindlin 1 Homo sapiens 21-25 26913489-1 2016 Iron complexes are important spin crossover (SCO) systems with vital roles in oxidative metabolism and promising technological potential. Iron 0-4 spindlin 1 Homo sapiens 29-33 26799040-1 2016 We report on the influence of uniaxial strain relief on the spin spiral state in the Fe double layer grown on Ir(111). Iron 85-87 spindlin 1 Homo sapiens 60-64 26816269-7 2016 On the basis of mechanistic studies, we conclude that mononuclear nonheme high-spin iron(III)-acylperoxo complexes are strong oxidants capable of oxygenating hydrocarbons prior to their conversion into iron-oxo species via O-O bond cleavage. Iron 84-88 spindlin 1 Homo sapiens 79-83 26799040-3 2016 Magnetic field-dependent spin-polarized STM measurements of the reconstructed Fe double layer reveal cycloidal spin spirals with a period on the nm scale. Iron 78-80 spindlin 1 Homo sapiens 25-29 26799040-3 2016 Magnetic field-dependent spin-polarized STM measurements of the reconstructed Fe double layer reveal cycloidal spin spirals with a period on the nm scale. Iron 78-80 spindlin 1 Homo sapiens 111-115 26799040-5 2016 On an atomic scale the spin spiral propagation direction is linked to the [001] direction of the bcc(110)-like Fe, leading to a zigzag shaped wave front. Iron 111-113 spindlin 1 Homo sapiens 23-27 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 47-49 spindlin 1 Homo sapiens 4-8 26440452-4 2015 We now demonstrate this effect with a reduced hexanuclear iron cluster that achieves an S = 19/2 (chi(M)T 53 cm(3) K/mol) ground state that persists to 300 K, representing the largest spin ground state persistent to room temperature reported to date. Iron 58-62 spindlin 1 Homo sapiens 186-190 25728296-4 2015 Information about the spin-dependent unoccupied bands of the Fe film in the GammaNu direction normal to the film plane is obtained by analyzing the observed quantum well resonance conditions. Iron 61-63 spindlin 1 Homo sapiens 22-26 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 47-49 spindlin 1 Homo sapiens 9-13 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 99-101 spindlin 1 Homo sapiens 4-8 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 99-101 spindlin 1 Homo sapiens 9-13 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 99-101 spindlin 1 Homo sapiens 4-8 26525136-6 2015 The spin-spin coupling between two neighboring Fe atoms along the b axis, which is realized by the Fe-S S-Fe super-super exchange mechanism, was found to be responsible for this magnetic phase transition. Iron 99-101 spindlin 1 Homo sapiens 9-13 26374030-0 2015 The spin and orbital contributions to the total magnetic moments of free Fe, Co, and Ni clusters. Iron 73-75 spindlin 1 Homo sapiens 4-8 26407034-0 2015 Size-Specific Spin Configurations in Single Iron Nanomagnet: From Flower to Exotic Vortices. Iron 44-48 spindlin 1 Homo sapiens 14-18 26248693-0 2015 Spin Crossover and Valence Tautomerism in Neutral Homoleptic Iron Complexes of Bis(pyridylimino)isoindolines. Iron 61-65 spindlin 1 Homo sapiens 0-4 26508587-4 2015 Here we experimentally demonstrate ultrafast coherent spin precession via optical charge-transfer processes in the exchange-coupled Fe/CoO system at room temperature. Iron 132-134 spindlin 1 Homo sapiens 54-58 26129708-0 2015 Spin-inversion and spin-selection in the reactions FeO(+) + H2 and Fe(+) + N2O. Iron 67-72 spindlin 1 Homo sapiens 0-4 26333417-0 2015 Antiferromagnetic Spin Coupling between Rare Earth Adatoms and Iron Islands Probed by Spin-Polarized Tunneling. Iron 63-67 spindlin 1 Homo sapiens 18-22 26333417-0 2015 Antiferromagnetic Spin Coupling between Rare Earth Adatoms and Iron Islands Probed by Spin-Polarized Tunneling. Iron 63-67 spindlin 1 Homo sapiens 86-90 26333417-5 2015 The spin-polarized current indicates that both kind of adatoms have in-plane magnetic moments, which couple antiferromagnetically with their underlying iron islands. Iron 152-156 spindlin 1 Homo sapiens 4-8 26371671-1 2015 We investigate the origin of the spin Seebeck effect in yttrium iron garnet (YIG) samples for film thicknesses from 20 nm to 50 mum at room temperature and 50 K. Our results reveal a characteristic increase of the longitudinal spin Seebeck effect amplitude with the thickness of the insulating ferrimagnetic YIG, which levels off at a critical thickness that increases with decreasing temperature. Iron 64-68 spindlin 1 Homo sapiens 33-37 26371671-1 2015 We investigate the origin of the spin Seebeck effect in yttrium iron garnet (YIG) samples for film thicknesses from 20 nm to 50 mum at room temperature and 50 K. Our results reveal a characteristic increase of the longitudinal spin Seebeck effect amplitude with the thickness of the insulating ferrimagnetic YIG, which levels off at a critical thickness that increases with decreasing temperature. Iron 64-68 spindlin 1 Homo sapiens 228-232 26129708-0 2015 Spin-inversion and spin-selection in the reactions FeO(+) + H2 and Fe(+) + N2O. Iron 67-72 spindlin 1 Homo sapiens 19-23 26129708-2 2015 The reaction of electronic ground state (6)FeO(+) with H2 was found to predominantly produce electronically excited (4)Fe(+) as opposed to electronic ground state (6)Fe(+) corresponding to a spin-allowed reaction. Iron 166-171 spindlin 1 Homo sapiens 191-195 26102537-0 2015 Finite temperature orbital and spin magnetism of small Fe linear chains. Iron 55-57 spindlin 1 Homo sapiens 31-35 26278134-0 2015 Quantitative analysis of magnetic spin and orbital moments from an oxidized iron (1 1 0) surface using electron magnetic circular dichroism. Iron 76-80 spindlin 1 Homo sapiens 34-38 26227915-2 2015 Magnetism in the iron-based superconductors is usually a stripe-type spin-density-wave, which breaks the tetragonal symmetry of the lattice, and is known to compete strongly with superconductivity. Iron 17-21 spindlin 1 Homo sapiens 69-73 26135639-0 2015 A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field. Iron 35-39 spindlin 1 Homo sapiens 30-34 26135639-3 2015 Given that the nitrogenase active site uses weak-field sulfide ligands to stabilize its reactive Fe center(s), N2 binding to high-spin Fe is of great interest. Iron 97-99 spindlin 1 Homo sapiens 130-134 26135639-3 2015 Given that the nitrogenase active site uses weak-field sulfide ligands to stabilize its reactive Fe center(s), N2 binding to high-spin Fe is of great interest. Iron 135-137 spindlin 1 Homo sapiens 130-134 26073059-3 2015 For this iron-oxo core, the magnetic susceptibility analysis proposed a Heisenberg-Dirac-van Vleck (HDvV) mechanism that leads to an intermediate spin ground state of S=7/2 or 9/2. Iron 9-13 spindlin 1 Homo sapiens 146-150 25859818-1 2015 Spin-resolved scanning tunneling microscopy is used to reveal a commensurate hexagonal nanoskyrmion lattice in the hcp stacked Fe monolayer on Ir(111). Iron 127-129 spindlin 1 Homo sapiens 0-4 25859818-2 2015 The exact nature of the spin configuration is due to magnetic interactions between the Fe atoms and the Ir substrate, either originating from polarization effects, or due to a three-site hopping mechanism of the Dzyaloshinsky-Moriya interaction leading to a canting of the Dzyaloshinsky-Moriya vector with respect to the interface. Iron 87-89 spindlin 1 Homo sapiens 24-28 25955070-0 2015 Spin-orbit interactions and the nematicity observed in the fe-based superconductors. Iron 59-61 spindlin 1 Homo sapiens 0-4 26263154-0 2015 Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes. Iron 129-133 spindlin 1 Homo sapiens 17-21 25601767-0 2015 Spin-glass behavior of a hierarchically-organized, hybrid microporous material, based on an extended framework of octanuclear iron-oxo units. Iron 126-130 spindlin 1 Homo sapiens 0-4 25839305-2 2015 With increasing pressure, the Fe ions in the material begin to collapse from a magnetic to nonmagnetic spin state. Iron 30-32 spindlin 1 Homo sapiens 103-107 25664924-3 2015 We measure the spin excitations of individual Fe atoms on a copper nitride surface with inelastic electron tunneling spectroscopy. Iron 46-48 spindlin 1 Homo sapiens 15-19 25664924-5 2015 We quantitatively determine the three-dimensional distribution of the magnetic anisotropy of single Fe atoms by fitting the spin excitation spectra with a spin Hamiltonian. Iron 100-102 spindlin 1 Homo sapiens 124-128 25664924-5 2015 We quantitatively determine the three-dimensional distribution of the magnetic anisotropy of single Fe atoms by fitting the spin excitation spectra with a spin Hamiltonian. Iron 100-102 spindlin 1 Homo sapiens 155-159 25820781-1 2015 Quantum interference is used to measure the spin interactions between an InAs surface electron system and the iron center in the biomolecule hemin in nanometer proximity in a bio-organic/semiconductor device structure. Iron 110-114 spindlin 1 Homo sapiens 44-48 25820781-6 2015 Spin-flip scattering is found to increase with temperature due to hemin, signifying a spin exchange between the iron center and the electrons, thus implying interactions between a biomolecule and a solid-state system in the hemin/InAs hybrid structure. Iron 112-116 spindlin 1 Homo sapiens 0-4 25820781-6 2015 Spin-flip scattering is found to increase with temperature due to hemin, signifying a spin exchange between the iron center and the electrons, thus implying interactions between a biomolecule and a solid-state system in the hemin/InAs hybrid structure. Iron 112-116 spindlin 1 Homo sapiens 86-90 25601767-5 2015 (57)Fe-Mossbauer spectroscopic analysis provides insights to the intercluster connectivity of and on one hand and to their magnetic properties on the other, evident by a magnetic split sextet below 30 K. The combination of Mossbauer spectroscopy and magnetism measurements reveals a spin-glass behavior with Tg of ~30 K. The hierarchical porous materials and straddle the gap between metal oxides and metal-organic frameworks (MOFs). Iron 4-6 spindlin 1 Homo sapiens 283-287 24849670-0 2014 Spin-polarized currents generated by magnetic Fe atomic chains. Iron 46-48 spindlin 1 Homo sapiens 0-4 25115987-7 2014 Spin polarized density functional calculations suggest the occurrence of different magnetic moments at the Fe sites in the Ru substituted compounds, and provide a rationale for the experimentally observed multimodel B(hf). Iron 107-109 spindlin 1 Homo sapiens 0-4 25002507-2 2014 The spin crossover in iron in ferropericlase (Fp), the second most abundant phase in the lower mantle, introduces unfamiliar effects on seismic velocities. Iron 22-26 spindlin 1 Homo sapiens 4-8 24997736-4 2014 Here we present direct imaging of standing spin waves in individual chains of ferromagnetically coupled S = 2 Fe atoms, assembled one by one on a Cu(2)N surface using a scanning tunnelling microscope. Iron 110-112 spindlin 1 Homo sapiens 43-47 24849670-1 2014 Fe-based devices are widely used in spintronics because of high spin-polarization and magnetism. Iron 0-2 spindlin 1 Homo sapiens 36-40 24849670-2 2014 In this work, freestanding Fe atomic chains, the thinnest wires, were used to generate spin-polarized currents due to the spin-polarized energy bands. Iron 27-29 spindlin 1 Homo sapiens 87-91 24849670-2 2014 In this work, freestanding Fe atomic chains, the thinnest wires, were used to generate spin-polarized currents due to the spin-polarized energy bands. Iron 27-29 spindlin 1 Homo sapiens 122-126 24849670-5 2014 A system constructed by a short Fe chain sandwiched between two graphene electrodes could be used as a spin-polarized current generator, while a C chain could not be used in this way. Iron 32-34 spindlin 1 Homo sapiens 103-107 24759288-0 2014 Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces. Iron 47-49 spindlin 1 Homo sapiens 0-4 24623103-5 2014 Mossbauer, X-ray diffraction and NMR studies show the iron species to contain low spin Fe(ii), but with evidence of back donation from iron to the pincer ligands. Iron 54-58 spindlin 1 Homo sapiens 82-86 24759288-6 2014 For the Fe/Os(0 0 0 1) system we calculate a very large D/J ratio, correspondingly, a spin spiral ground state. Iron 8-10 spindlin 1 Homo sapiens 86-90 24600694-0 2014 Spin polarization gives rise to Cu precipitation in Fe-matrix. Iron 52-54 spindlin 1 Homo sapiens 0-4 24691196-0 2014 Spin-dependent electronic conduction along zigzag graphene nanoribbons bearing adsorbed Ni and Fe nanostructures. Iron 95-97 spindlin 1 Homo sapiens 0-4 24600694-5 2014 Furthermore, the charge density difference also confirmed the weaker bond between Fe and Cu with spin-polarization compared to without spin-polarization, due to the decreased charge between them. Iron 82-84 spindlin 1 Homo sapiens 97-101 24600694-5 2014 Furthermore, the charge density difference also confirmed the weaker bond between Fe and Cu with spin-polarization compared to without spin-polarization, due to the decreased charge between them. Iron 82-84 spindlin 1 Homo sapiens 135-139 24584481-0 2014 Spin-induced band modifications of graphene through intercalation of magnetic iron atoms. Iron 78-82 spindlin 1 Homo sapiens 0-4 24584481-1 2014 Intercalation of magnetic iron atoms through graphene formed on the SiC(0001) surface is found to induce significant changes in the electronic properties of graphene due mainly to the Fe-induced asymmetries in charge as well as spin distribution. Iron 26-30 spindlin 1 Homo sapiens 228-232 24584481-2 2014 From our synchrotron-based photoelectron spectroscopy data together with ab initio calculations, we observe that the Fe-induced charge asymmetry results in the formation of a quasi-free-standing bilayer graphene while the spin asymmetry drives multiple spin-split bands. Iron 117-119 spindlin 1 Homo sapiens 222-226 24584481-2 2014 From our synchrotron-based photoelectron spectroscopy data together with ab initio calculations, we observe that the Fe-induced charge asymmetry results in the formation of a quasi-free-standing bilayer graphene while the spin asymmetry drives multiple spin-split bands. Iron 117-119 spindlin 1 Homo sapiens 253-257 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 0-2 spindlin 1 Homo sapiens 78-82 24803973-3 2014 From simulations, this spin transition behavior was found to be responsible for the strong binding behavior experimentally observed in the iron complex. Iron 139-143 spindlin 1 Homo sapiens 23-27 24329466-0 2013 Inelastic neutron scattering study of a nonmagnetic collapsed tetragonal phase in nonsuperconducting CaFe2As2: evidence of the impact of spin fluctuations on superconductivity in the iron-arsenide compounds. Iron 183-187 spindlin 1 Homo sapiens 137-141 23743663-0 2013 Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly. Iron 25-29 spindlin 1 Homo sapiens 0-4 23743663-0 2013 Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly. Iron 25-29 spindlin 1 Homo sapiens 30-34 23743663-1 2013 Iron complexes derived from 6-diaminotriazyl-2,2"-bipyridines display spin crossover behaviour, and hydrogen bonding-controlled self-assembly with a suitable barbiturate partner can modulate the crossover from mixed low and high spin to high spin. Iron 0-4 spindlin 1 Homo sapiens 70-74 23743663-1 2013 Iron complexes derived from 6-diaminotriazyl-2,2"-bipyridines display spin crossover behaviour, and hydrogen bonding-controlled self-assembly with a suitable barbiturate partner can modulate the crossover from mixed low and high spin to high spin. Iron 0-4 spindlin 1 Homo sapiens 229-233 23743663-1 2013 Iron complexes derived from 6-diaminotriazyl-2,2"-bipyridines display spin crossover behaviour, and hydrogen bonding-controlled self-assembly with a suitable barbiturate partner can modulate the crossover from mixed low and high spin to high spin. Iron 0-4 spindlin 1 Homo sapiens 229-233 23765334-2 2013 From the amplitude of the quantum size oscillations observed in the reflectivity curves the spin-dependent inelastic mean free path (IMFP) of electrons in Fe has been determined in the energy range from 5 to 16 eV above the vacuum level. Iron 155-157 spindlin 1 Homo sapiens 92-96 23628648-0 2013 Spin polarized low energy electron microscopy of quantum well resonances in Fe films on the Cu-covered W(110) surface. Iron 76-78 spindlin 1 Homo sapiens 0-4 23628648-1 2013 Spin polarized low energy electron microscopy has been used to investigate the quantum size effect (QSE) in electron reflectivity from Fe films grown on a pseudomorphic Cu layer on a W(110) surface. Iron 135-137 spindlin 1 Homo sapiens 0-4 23628648-4 2013 We also find evidence that the presence of the non-magnetic Cu layer shifts spin polarized quantum well resonances in the Fe layer uniformly downward in energy by 1.1eV compared to Fe/W(110) films without an interface Cu layer, suggesting that the Cu layer gives a small degree of control over the quantum well resonances. Iron 122-124 spindlin 1 Homo sapiens 76-80 23454841-0 2013 Ab initio calculation of spin-dependent electron-phonon coupling in iron and cobalt. Iron 68-72 spindlin 1 Homo sapiens 25-29 23454841-1 2013 The spin-dependent coupling between electrons and phonons in ferromagnetic Fe and Co is calculated from first principles in a collinear-spin formalism. Iron 75-77 spindlin 1 Homo sapiens 4-8 23454841-1 2013 The spin-dependent coupling between electrons and phonons in ferromagnetic Fe and Co is calculated from first principles in a collinear-spin formalism. Iron 75-77 spindlin 1 Homo sapiens 136-140 24160625-0 2013 Spin excitations of individual Fe atoms on Pt(111): impact of the site-dependent giant substrate polarization. Iron 31-33 spindlin 1 Homo sapiens 0-4 23628648-3 2013 Evaluation of these intensity oscillations using the phase accumulation model provides information on the unoccupied spin polarized band structure in the Fe film above the vacuum level. Iron 154-156 spindlin 1 Homo sapiens 117-121 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 0-2 spindlin 1 Homo sapiens 141-145 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 0-2 spindlin 1 Homo sapiens 141-145 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 60-62 spindlin 1 Homo sapiens 78-82 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 60-62 spindlin 1 Homo sapiens 141-145 25166836-2 2013 Ferromagnetic resonance and effective s-d coupling in Ni(80)Fe(20) results in spin accumulation at the Ni(80)Fe(20)/p-Si interface, inducing spin injection and the generation of spin current in the p-Si. Iron 60-62 spindlin 1 Homo sapiens 141-145 25166195-4 2013 We argue that the gradual change of the spin state over a wide temperature range reveals the importance of multiorbital physics, in particular the competition between the crystal field split Fe 3d orbitals and the Hund"s rule coupling. Iron 191-193 spindlin 1 Homo sapiens 40-44 23234679-5 2013 The Fe spin is found to be S = 3/2 through computing the antiferromagnetic quantum fluctuation. Iron 4-6 spindlin 1 Homo sapiens 7-11 23504535-0 2013 Spin state switching in iron coordination compounds. Iron 24-28 spindlin 1 Homo sapiens 0-4 23591893-0 2013 Spin wave-assisted reduction in switching field of highly coercive iron-platinum magnets. Iron 67-71 spindlin 1 Homo sapiens 0-4 22463564-2 2012 By placing manganese phthalocyanine (MnPc) molecules on Fe-supported Pb islands, a Kondo system is devised which is exchange coupled to a magnetic substrate via conduction electrons in Pb, inducing spin splitting of the Kondo resonance. Iron 56-58 spindlin 1 Homo sapiens 198-202 22415338-5 2012 The effective coordination number of the nitrogen atoms of the ligands around the iron atom has been identified as the order parameter driving the quasi-reversible low-spin to high-spin transition in the crystal. Iron 82-86 spindlin 1 Homo sapiens 168-172 22415338-5 2012 The effective coordination number of the nitrogen atoms of the ligands around the iron atom has been identified as the order parameter driving the quasi-reversible low-spin to high-spin transition in the crystal. Iron 82-86 spindlin 1 Homo sapiens 181-185 22366979-2 2012 While cooperativity is barely predictable in solids, we show here that solution processing and the covalent introduction of molecular recognition sites allows the spin crossover of iron(III) sal(2)trien complexes to be rationally tuned. Iron 181-185 spindlin 1 Homo sapiens 163-167 23030111-1 2012 We study the mechanism of orbital or spin fluctuations due to multiorbital Coulomb interaction in iron-based superconductors, going beyond the random-phase approximation. Iron 98-102 spindlin 1 Homo sapiens 37-41 22400954-0 2012 Spin coupling and orbital angular momentum quenching in free iron clusters. Iron 61-65 spindlin 1 Homo sapiens 0-4 26592881-12 2012 We quickly recover the performance of the original parameter set and then significantly improve it to reproduce the geometries and spin state energy differences of an extended series of complexes with RMSD errors in Fe-N and N-N distances reduced from 0.06 A to 0.03 A and spin state energy difference RMSDs reduced from 1.5 kcal mol(-1) to 0.2 kcal mol(-1). Iron 216-220 spindlin 1 Homo sapiens 131-135 21902353-2 2011 The spin mixing conductance was determined by comparing the Gilbert damping in bare YIG films with those covered by a Au/Fe/Au structure. Iron 121-123 spindlin 1 Homo sapiens 4-8 21902353-3 2011 The Fe layer in Au/Fe/Au acted as a spin sink as displayed by an increased Gilbert damping parameter alpha compared to that in the bare YIG. Iron 4-6 spindlin 1 Homo sapiens 36-40 21902353-3 2011 The Fe layer in Au/Fe/Au acted as a spin sink as displayed by an increased Gilbert damping parameter alpha compared to that in the bare YIG. Iron 19-21 spindlin 1 Homo sapiens 36-40 21271699-2 2011 As the spin crossover between the low-spin (LS) and high-spin (HS) states can occur only for two of four iron ions, we characterized energetically and structurally the [LS-LS], [HS-LS], and [HS-HS] spin-state isomers. Iron 105-109 spindlin 1 Homo sapiens 7-11 21469904-1 2011 Using density functional theory plus Hubbard U calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O(3) perovskite, the major mineral phase in Earth"s lower mantle, has high-spin ferric iron (S=5/2) at both dodecahedral (A) and octahedral (B) sites. Iron 98-100 spindlin 1 Homo sapiens 183-187 21469904-2 2011 With increasing pressure, the B-site iron undergoes a spin-state crossover to the low-spin state (S=1/2) between 40 and 70 GPa, while the A-site iron remains in the high-spin state. Iron 37-41 spindlin 1 Homo sapiens 54-58 21469904-2 2011 With increasing pressure, the B-site iron undergoes a spin-state crossover to the low-spin state (S=1/2) between 40 and 70 GPa, while the A-site iron remains in the high-spin state. Iron 37-41 spindlin 1 Homo sapiens 86-90 21469904-2 2011 With increasing pressure, the B-site iron undergoes a spin-state crossover to the low-spin state (S=1/2) between 40 and 70 GPa, while the A-site iron remains in the high-spin state. Iron 37-41 spindlin 1 Homo sapiens 86-90 21706009-4 2011 Here we show experimental evidence that spin pumping enables spin injection free from this condition; room-temperature spin injection into GaAs from Ni(81)Fe(19) through an Ohmic contact is demonstrated through dynamical spin exchange. Iron 155-157 spindlin 1 Homo sapiens 40-44 21405349-1 2011 Recently, experimental studies of the spin excitation spectrum revealed a strong temperature dependence in the normal state and a resonance feature in the superconducting state of several Fe-based superconductors. Iron 188-190 spindlin 1 Homo sapiens 38-42 20867880-1 2010 We investigate the spin- and energy-dependent tunneling through a single organic molecule (CoPc) adsorbed on a ferromagnetic Fe thin film, spatially resolved by low-temperature spin-polarized scanning tunneling microscopy. Iron 125-127 spindlin 1 Homo sapiens 19-23 21212352-2 2011 The pressure-induced iron spin state transition in the lower mantle may influence seismic wave velocities by changing the elasticity of iron-bearing minerals, but no seismological evidence of an anomaly exists. Iron 21-25 spindlin 1 Homo sapiens 26-30 21212352-2 2011 The pressure-induced iron spin state transition in the lower mantle may influence seismic wave velocities by changing the elasticity of iron-bearing minerals, but no seismological evidence of an anomaly exists. Iron 136-140 spindlin 1 Homo sapiens 26-30 21231194-1 2010 We report on a combined experimental and theoretical study of the spin-dependent relaxation processes in the electron system of an iron film on Cu(100). Iron 131-135 spindlin 1 Homo sapiens 66-70 20424773-0 2010 Spin crossover in co-crystallised 2 ratio 1 cisratiotrans [Fe(II)(pldpt)(2)(NCS)(2)] occurs only in (1/3) of the iron centres. Iron 113-117 spindlin 1 Homo sapiens 0-4 20499961-1 2010 First principles studies on the ground state structure, binding energy, spin multiplicity, and the noncollinearity of local spin moments in Fe(n) and Fe(n) (-) clusters and their oxides, viz., Fe(n)O(2) and Fe(n)O(2) (-) have been carried out within a density functional formalism. Iron 140-145 spindlin 1 Homo sapiens 124-128 20499961-1 2010 First principles studies on the ground state structure, binding energy, spin multiplicity, and the noncollinearity of local spin moments in Fe(n) and Fe(n) (-) clusters and their oxides, viz., Fe(n)O(2) and Fe(n)O(2) (-) have been carried out within a density functional formalism. Iron 150-155 spindlin 1 Homo sapiens 124-128 20424773-1 2010 The first spin crossover (SCO) active sample of co-crystallised stereoisomers (cisratiotrans, 2 ratio 1) is fully high spin (HS) at room temperature but displays temperature mediated SCO in which only a third of the iron(ii) centres change spin state. Iron 216-220 spindlin 1 Homo sapiens 10-14 19831361-1 2009 We describe the multistep synthesis of a new terthienyl-substituted QsalH ligand and an iron(3+) spin-crossover complex (1) containing this ligand, which electropolymerizes to produce a hybrid-conducting metallopolymer film (poly1). Iron 88-92 spindlin 1 Homo sapiens 97-101 20162191-0 2010 Spin crossover in a heptanuclear mixed-valence iron complex. Iron 47-51 spindlin 1 Homo sapiens 0-4 20000481-2 2010 In the M = 2S + 1 = 13 (S is the total spin) ground state (GS) of Fe(6)-(C(6)H(6))(3) each benzene is bonded with one Fe atom, forming eta(6) coordinations with C-Fe contacts of 2.12-2.17 A; though the Fe(6) cluster structure is preserved, it presents more distortion than in bare Fe(6). Iron 66-68 spindlin 1 Homo sapiens 39-43 21836226-2 2009 Spin and orbital contributions to magnetic moments, hyperfine fields and the Mossbauer isomer shifts at the Fe sites in Fe precipitates and Fe-Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed. Iron 108-110 spindlin 1 Homo sapiens 0-4 21836226-2 2009 Spin and orbital contributions to magnetic moments, hyperfine fields and the Mossbauer isomer shifts at the Fe sites in Fe precipitates and Fe-Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed. Iron 120-122 spindlin 1 Homo sapiens 0-4 21836226-2 2009 Spin and orbital contributions to magnetic moments, hyperfine fields and the Mossbauer isomer shifts at the Fe sites in Fe precipitates and Fe-Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed. Iron 120-122 spindlin 1 Homo sapiens 0-4 21836226-2 2009 Spin and orbital contributions to magnetic moments, hyperfine fields and the Mossbauer isomer shifts at the Fe sites in Fe precipitates and Fe-Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed. Iron 120-122 spindlin 1 Homo sapiens 0-4 19588900-0 2009 Spin-polarized density functional theory study of reactivity of diatomic molecule on bimetallic system: the case of O2 dissociative adsorption on Pt monolayer on Fe(001). Iron 162-164 spindlin 1 Homo sapiens 0-4 19697914-0 2009 Accurate computed enthalpies of spin crossover in iron and cobalt complexes. Iron 50-54 spindlin 1 Homo sapiens 32-36 20428459-8 2009 Besides EPR spectra of ferric mononuclear sites, EPR of ferrous iron coupled to a spin 1/2 radical, as it pertains to the categories mononuclear and non-heme, will also be covered, in the second half of this chapter. Iron 64-68 spindlin 1 Homo sapiens 82-90 19792339-3 2009 Inelastic spin excitation spectroscopy with scanning tunneling microscopy is used to probe the Kondo effect of a Co atom, supported on a thin insulating layer on a Cu substrate, that is weakly coupled to a nearby Fe atom to form an inhomogeneous dimer. Iron 213-215 spindlin 1 Homo sapiens 10-14 19792825-2 2009 In the case of spin-1 iron atoms, large enough Heisenberg exchange interactions between neighboring spin-1/2 moments on different iron 3d orbitals that frustrate true magnetic order lead to hidden magnetic order that violates Hund"s rule. Iron 22-26 spindlin 1 Homo sapiens 15-21 19792825-2 2009 In the case of spin-1 iron atoms, large enough Heisenberg exchange interactions between neighboring spin-1/2 moments on different iron 3d orbitals that frustrate true magnetic order lead to hidden magnetic order that violates Hund"s rule. Iron 22-26 spindlin 1 Homo sapiens 100-108 26620478-0 2008 Accurate Spin-State Energies for Iron Complexes. Iron 33-37 spindlin 1 Homo sapiens 9-13 19215124-0 2009 Spin glass behavior of isolated, geometrically frustrated tetrahedra of iron atoms in the intermetallic La(21)Fe(8)Sn(7)C(12). Iron 110-112 spindlin 1 Homo sapiens 0-4 26620478-1 2008 A critical assessment of the OPBE functional is made for its performance for the geometries and spin-states of iron complexes. Iron 111-115 spindlin 1 Homo sapiens 96-100 18999859-5 2008 The state population change leads to a constant spin-orbit ratio, which explains the linear dependence between spin and orbital momentum changes within 2 ps upon the arrival of a pump pulse in Fe. Iron 193-195 spindlin 1 Homo sapiens 48-52 18999859-5 2008 The state population change leads to a constant spin-orbit ratio, which explains the linear dependence between spin and orbital momentum changes within 2 ps upon the arrival of a pump pulse in Fe. Iron 193-195 spindlin 1 Homo sapiens 111-115 18764291-4 2008 Our work indicates that to determine the magnitude and the absolute direction of FE polarization in spin-spiral states, it is crucial to consider the displacements of the ions from their centrosymmetric positions. Iron 81-83 spindlin 1 Homo sapiens 100-104 21694167-0 2007 Noncollinear magnetism and exchange interaction in spin-spiral structures of thin film Fe(110). Iron 87-89 spindlin 1 Homo sapiens 51-55 17932693-8 2008 The spin concentration determined for Fe3+-desferrioxamine of known Fe3+ concentration was anomalously low suggesting the presence of EPR-silent multimeric iron species in solution. Iron 156-160 spindlin 1 Homo sapiens 4-8 18271587-3 2008 The iron atoms at the two sites have distinct geometric features, as revealed in their molecular structures, and distinct electronic structures, as shown by Mossbauer spectroscopy, although both are high spin (S = 2). Iron 4-8 spindlin 1 Homo sapiens 204-208 17885134-2 2007 Spin states of iron in lower-mantle ferropericlase have been measured up to 95 gigapascals and 2000 kelvin with x-ray emission in a laser-heated diamond cell. Iron 15-19 spindlin 1 Homo sapiens 0-4 17885134-3 2007 A gradual spin transition of iron occurs over a pressure-temperature range extending from about 1000 kilometers in depth and 1900 kelvin to 2200 kilometers and 2300 kelvin in the lower mantle. Iron 29-33 spindlin 1 Homo sapiens 10-14 17584508-1 2007 Electron spin resonance (ESR) spectra of magnetic fluids involving polydispersed Zn(0.5)Fe(0. Iron 88-90 spindlin 1 Homo sapiens 9-13 17501093-2 2007 We show that an epitaxial iron alloy with vanadium (V) possesses values of G which are significantly reduced to 35 +/- 5 MHz at 27% V. The result can be understood as the role of spin-orbit coupling in generating relaxation, reduced through the atomic number Z. Iron 26-30 spindlin 1 Homo sapiens 179-183 17431519-2 2007 The density functional calculations give evidence of both, states with local high-spin iron centres and states with local low-spin iron centres, the relative energy of which strongly depends on the functional. Iron 87-91 spindlin 1 Homo sapiens 82-86 17431519-2 2007 The density functional calculations give evidence of both, states with local high-spin iron centres and states with local low-spin iron centres, the relative energy of which strongly depends on the functional. Iron 87-91 spindlin 1 Homo sapiens 126-130 17431519-2 2007 The density functional calculations give evidence of both, states with local high-spin iron centres and states with local low-spin iron centres, the relative energy of which strongly depends on the functional. Iron 131-135 spindlin 1 Homo sapiens 82-86 17431519-2 2007 The density functional calculations give evidence of both, states with local high-spin iron centres and states with local low-spin iron centres, the relative energy of which strongly depends on the functional. Iron 131-135 spindlin 1 Homo sapiens 126-130 17431519-3 2007 The splitting of states due to the spin coupling between the high-spin iron centres varies by more than a factor of two for different functionals. Iron 71-75 spindlin 1 Homo sapiens 35-39 17431519-3 2007 The splitting of states due to the spin coupling between the high-spin iron centres varies by more than a factor of two for different functionals. Iron 71-75 spindlin 1 Homo sapiens 66-70 17026326-2 2006 We found that nearly completely spin-polarized field emission currents can be realized in two and four Fe layers on W(001) and that these systems have the additional advantages of thermal stability and low work functions. Iron 103-105 spindlin 1 Homo sapiens 32-36 17358310-1 2007 In this study, the relaxation dynamics of iron-group dihalides by making use of spin- 1/2 metamagnetic Ising model has been formulated by the method of thermodynamics of irreversible processes. Iron 42-46 spindlin 1 Homo sapiens 80-89 17100424-0 2006 Towards understanding performance differences between approximate density functionals for spin states of iron complexes. Iron 105-109 spindlin 1 Homo sapiens 90-94 17100424-2 2006 Nevertheless, recent studies have shown that approximate exchange-correlation energy density functionals can incorrectly predict the stability order of spin states in, for instance, iron-containing pyridine and imidazole systems. Iron 182-186 spindlin 1 Homo sapiens 152-156 17100424-5 2006 Two oxidation states of iron, Fe(II) and Fe(III), with different spin states and both adiabatic and vertical structures are considered. Iron 24-28 spindlin 1 Homo sapiens 65-69 17155772-3 2006 We found that a bulklike MgO energy gap is fully established for MgO film thicker than 3 atomic monolayers and that the electron reflectivity from the MgO/Fe interface exhibits a spin-dependent amplitude and a spin-independent phase change. Iron 155-157 spindlin 1 Homo sapiens 179-183 17155772-3 2006 We found that a bulklike MgO energy gap is fully established for MgO film thicker than 3 atomic monolayers and that the electron reflectivity from the MgO/Fe interface exhibits a spin-dependent amplitude and a spin-independent phase change. Iron 155-157 spindlin 1 Homo sapiens 210-214 17044718-6 2006 In both spin states, the iron is intermediate spin (S(Fe) = 1) ferrous. Iron 25-29 spindlin 1 Homo sapiens 8-12 17044718-6 2006 In both spin states, the iron is intermediate spin (S(Fe) = 1) ferrous. Iron 25-29 spindlin 1 Homo sapiens 46-50 17044718-7 2006 Experimentally, the compound has a spin singlet ground state (S = 0) due to antiferromagnetic coupling of iron and the ligand triplet state. Iron 106-110 spindlin 1 Homo sapiens 35-39 17026326-3 2006 The unusually high spin polarizations of the field emission current is traced to the Fe film"s quantum size effects leading to spin-polarized quantum well states and surface resonance states. Iron 85-87 spindlin 1 Homo sapiens 19-23 17026326-3 2006 The unusually high spin polarizations of the field emission current is traced to the Fe film"s quantum size effects leading to spin-polarized quantum well states and surface resonance states. Iron 85-87 spindlin 1 Homo sapiens 127-131 15880517-5 2005 Comparing our spin-polarized scanning tunneling spectra measured with Fe-coated W tips with spin-resolved band structure calculations, we are able to find the value of the sample surface polarization. Iron 70-72 spindlin 1 Homo sapiens 14-18 16803146-1 2006 Iron in the major lower mantle (LM) minerals undergoes a high spin (HS) to low spin (LS) transition at relevant pressures (23-135 GPa). Iron 0-4 spindlin 1 Homo sapiens 62-66 16803146-1 2006 Iron in the major lower mantle (LM) minerals undergoes a high spin (HS) to low spin (LS) transition at relevant pressures (23-135 GPa). Iron 0-4 spindlin 1 Homo sapiens 79-83 16774310-1 2006 The electronic structure and spin-dependent conductance of a magnetic junction consisting of two Fe-doped carbon nanotubes and a C60 molecule are investigated using a first-principles approach that combines the density functional theory with the nonequilibrium Greens function technique. Iron 97-99 spindlin 1 Homo sapiens 29-33 16196900-0 2005 Spin waves in paramagnetic bcc iron: spin dynamics simulations. Iron 31-35 spindlin 1 Homo sapiens 0-4 16196900-0 2005 Spin waves in paramagnetic bcc iron: spin dynamics simulations. Iron 31-35 spindlin 1 Homo sapiens 37-41 16196900-1 2005 Large scale computer simulations are used to elucidate a long-standing controversy regarding the existence, or otherwise, of spin waves in paramagnetic bcc iron. Iron 156-160 spindlin 1 Homo sapiens 125-129 15826185-1 2005 Poly(benzyl ether) dendrons having a focal triazole unit (Gntrz: trz = triazole; n = generation number = 0-2) were found to react with (MeSO(3))(2)Fe to form dendritic coordination polymers ([Fe(Gntrz)(3)](MeSO(3))(2).2H(2)O) that undergo the thermal spin transition. Iron 147-149 spindlin 1 Homo sapiens 251-255 15880517-5 2005 Comparing our spin-polarized scanning tunneling spectra measured with Fe-coated W tips with spin-resolved band structure calculations, we are able to find the value of the sample surface polarization. Iron 70-72 spindlin 1 Homo sapiens 92-96 14754084-2 2003 The spin asymmetry in the SP of He(*) scattered from a clean Fe/Cu(100) surface changed its polarity with H2O adsorption. Iron 61-63 spindlin 1 Homo sapiens 4-8 15268476-0 2004 Spin and charge distribution in iron porphyrin models: a coupled cluster and density-functional study. Iron 32-36 spindlin 1 Homo sapiens 0-4 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 117-121 spindlin 1 Homo sapiens 112-116 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 117-121 spindlin 1 Homo sapiens 149-153 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 117-121 spindlin 1 Homo sapiens 149-153 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 228-232 spindlin 1 Homo sapiens 112-116 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 228-232 spindlin 1 Homo sapiens 149-153 15471345-1 2004 The reaction of small ligands within the distal pocket of haem proteins such as myoglobin, to form ligated, low-spin iron complexes is an archetypal spin-forbidden process in bioinorganic chemistry, because the initial, "deoxy" iron complex has a high-spin ground state. Iron 228-232 spindlin 1 Homo sapiens 149-153 15698224-3 2005 The hole transmission of a Ni(81)Fe(19)/Au/Co trilayer is clearly spin dependent, resulting in a surprisingly large current change by a factor of 2.3 in a magnetic field. Iron 33-35 spindlin 1 Homo sapiens 66-70 12570638-2 2003 When a spin-polarized electron current flows from Co into Cu(Fe) wires through the Co/Cu(Fe) interface, the resistivity of the Cu(Fe) wire is suppressed near the interface, as distinct from the ordinary logarithmic increase in the resistivity at low temperatures. Iron 61-63 spindlin 1 Homo sapiens 7-11 11955243-1 2002 The spin-dependent reflectivity of electrons with energies between 0 and 20 eV from Fe single crystals 2-8 monolayers thick on a W(110) surface is studied by spin-polarized low energy electron microscopy. Iron 84-86 spindlin 1 Homo sapiens 4-8 11955243-2 2002 The quantum size oscillations in the reflectivity are analyzed in a similar manner as in photoemission of ground state electrons, yielding the spin-resolved unoccupied state band structure of Fe in the Gamma N direction in the energy range studied. Iron 192-194 spindlin 1 Homo sapiens 143-147 11461483-0 2001 Room-temperature spin injection from Fe into GaAs. Iron 37-39 spindlin 1 Homo sapiens 17-21 11461483-1 2001 Injection of spin polarized electrons from a metal into a semiconductor is demonstrated for a GaAs/(In,Ga)As light emitting diode covered with Fe. Iron 143-145 spindlin 1 Homo sapiens 13-17 11671189-13 1999 At 260 K, both the Fe1 and Fe2 sites are high-spin (HS) with Fe-N bond lengths of 2.161(3) and 2.164(3) A, respectively. Iron 19-21 spindlin 1 Homo sapiens 46-50 11328118-1 2001 We report on the first spin-resolved energy spectra for the emission of electrons during grazing scattering of 150 keV multicharged nitrogen ions from a magnetized Fe(001) surface. Iron 164-166 spindlin 1 Homo sapiens 23-27 11670316-0 1998 Effect of Carboxamido N Coordination to Iron on the Redox Potential of Low-Spin Non-Heme Iron Centers with N,S Coordination: Relevance to the Iron Site of Nitrile Hydratase. Iron 40-44 spindlin 1 Homo sapiens 75-79 11670407-0 1998 The Synthesis and Characterization of Two-Dimensional Ferromagnetic Extended Structures Containing High-Spin (S = (5)/(2)) and Low-Spin (S = (1)/(2)) Iron(III) Bridged by Cyanide Groups. Iron 150-154 spindlin 1 Homo sapiens 131-135 9521653-4 1998 The spin-lattice relaxation of the reduced form of iron-sulfur center FX was also measured at low temperatures, in FA/FB-depleted PSI membranes. Iron 51-55 spindlin 1 Homo sapiens 4-8 11670316-0 1998 Effect of Carboxamido N Coordination to Iron on the Redox Potential of Low-Spin Non-Heme Iron Centers with N,S Coordination: Relevance to the Iron Site of Nitrile Hydratase. Iron 89-93 spindlin 1 Homo sapiens 75-79 11670316-0 1998 Effect of Carboxamido N Coordination to Iron on the Redox Potential of Low-Spin Non-Heme Iron Centers with N,S Coordination: Relevance to the Iron Site of Nitrile Hydratase. Iron 89-93 spindlin 1 Homo sapiens 75-79 9979929-0 1995 Spin-resolved iron surface density of states. Iron 14-18 spindlin 1 Homo sapiens 0-4 11669951-0 1997 Spin Crossover in Novel Dihydrobis(1-pyrazolyl)borate [H(2)B(pz)(2)]-Containing Iron(II) Complexes. Iron 80-84 spindlin 1 Homo sapiens 0-4 11669951-8 1997 The structural modifications associated with the spin change in 2 mainly consist of a large reorganization of the metal environment: the Fe-N decreases by 0.15 A (mean value) when the temperature is lowered from 290 to 139 K and a more regular shape of the [FeN(6)] octahedron is achieved through a slight modification of the trigonal deformation angle from 5.3 degrees to 3.2 degrees along with remarkable variations of the N-Fe-N angles. Iron 137-141 spindlin 1 Homo sapiens 49-53 11669951-8 1997 The structural modifications associated with the spin change in 2 mainly consist of a large reorganization of the metal environment: the Fe-N decreases by 0.15 A (mean value) when the temperature is lowered from 290 to 139 K and a more regular shape of the [FeN(6)] octahedron is achieved through a slight modification of the trigonal deformation angle from 5.3 degrees to 3.2 degrees along with remarkable variations of the N-Fe-N angles. Iron 137-139 spindlin 1 Homo sapiens 49-53 10062425-0 1996 Exchange-Coupled Spin-Fluctuation Theory: Application to Fe, Co, and Ni. Iron 57-59 spindlin 1 Homo sapiens 17-21 8784177-5 1996 In Mn-depleted PSII membranes the high-spin (S = 2) non-heme iron, enhances the spin-lattice relaxation of Pheo-. Iron 61-65 spindlin 1 Homo sapiens 39-43 8784177-5 1996 In Mn-depleted PSII membranes the high-spin (S = 2) non-heme iron, enhances the spin-lattice relaxation of Pheo-. Iron 61-65 spindlin 1 Homo sapiens 80-84 11666592-3 1996 For an iron(II) spin-state change to result from ligand cis <--> trans conversion, the Fe(II)(trans-L)(4)X(2) species had to exhibit a thermally-induced high-spin state <--> low-spin state crossover. Iron 7-11 spindlin 1 Homo sapiens 16-20 11666592-3 1996 For an iron(II) spin-state change to result from ligand cis <--> trans conversion, the Fe(II)(trans-L)(4)X(2) species had to exhibit a thermally-induced high-spin state <--> low-spin state crossover. Iron 7-11 spindlin 1 Homo sapiens 164-168 11666592-3 1996 For an iron(II) spin-state change to result from ligand cis <--> trans conversion, the Fe(II)(trans-L)(4)X(2) species had to exhibit a thermally-induced high-spin state <--> low-spin state crossover. Iron 7-11 spindlin 1 Homo sapiens 164-168 9977429-0 1995 Spin-polarized-electron scattering studies of the Fe bilayer on W(100): Theory and experiment. Iron 50-52 spindlin 1 Homo sapiens 0-4 9979723-0 1995 Spin-polarized Auger-electron diffraction study of the magnetic poisoning of Fe(001) by sulfur. Iron 77-79 spindlin 1 Homo sapiens 0-4 10006776-0 1993 Spin-resolved photoemission study of the clean and oxygen-covered Fe(110) surface. Iron 66-68 spindlin 1 Homo sapiens 0-4 9975706-0 1994 Spin-resolved photoemission from Pt/Fe(001). Iron 36-38 spindlin 1 Homo sapiens 0-4 8001836-4 1994 Free radical stress induced by iron/ascorbate treatment has a rigidizing effect on the protein infrastructure of these membranes, as appraised by EPR analysis of membrane protein-bound spin label, but no change was detected in the lipid component of the membrane. Iron 31-35 spindlin 1 Homo sapiens 185-189 7821672-0 1994 Long-distance spin-spin interactions with iron-sulphur clusters as observed by e.p.r. Iron 42-46 spindlin 1 Homo sapiens 14-18 7821672-0 1994 Long-distance spin-spin interactions with iron-sulphur clusters as observed by e.p.r. Iron 42-46 spindlin 1 Homo sapiens 19-23 9979071-0 1995 Spin-dependent transmission of polarized electrons through a ferromagnetic iron film. Iron 75-79 spindlin 1 Homo sapiens 0-4 10008368-0 1993 Spin-resolved x-ray-photoelectron-spectroscopy study of ferromagnetic iron. Iron 70-74 spindlin 1 Homo sapiens 0-4 1314821-1 1992 Using the electron spin resonance/spin trapping system, 4-pyridyl 1-oxide N-tert-butylnitrone (4-POBN)/ethanol, hydroxyl radical was detected as the alpha-hydroxyethyl spin trapped adduct of 4-POBN, 4-POBN-CH(CH3)OH, from phorbol 12-myristate 13-acetate-stimulated human neutrophils and monocytes without the addition of supplemental iron. Iron 334-338 spindlin 1 Homo sapiens 19-23 10005524-0 1993 Spin-polarized surface states of Fe(100). Iron 33-35 spindlin 1 Homo sapiens 0-4 10046885-0 1992 Spin polarization of epitaxial Cr on Fe(001) and interlayer magnetic coupling in Fe/Cr multilayered structures. Iron 37-39 spindlin 1 Homo sapiens 0-4 10046885-0 1992 Spin polarization of epitaxial Cr on Fe(001) and interlayer magnetic coupling in Fe/Cr multilayered structures. Iron 81-83 spindlin 1 Homo sapiens 0-4 10002305-0 1992 Spin-polarized interface states at the Pd(111)/Fe(110), Pd(111)/Co(0001), and Pt(111)/Co(0001) interfaces. Iron 47-49 spindlin 1 Homo sapiens 0-4 1314821-1 1992 Using the electron spin resonance/spin trapping system, 4-pyridyl 1-oxide N-tert-butylnitrone (4-POBN)/ethanol, hydroxyl radical was detected as the alpha-hydroxyethyl spin trapped adduct of 4-POBN, 4-POBN-CH(CH3)OH, from phorbol 12-myristate 13-acetate-stimulated human neutrophils and monocytes without the addition of supplemental iron. Iron 334-338 spindlin 1 Homo sapiens 34-38 1314821-1 1992 Using the electron spin resonance/spin trapping system, 4-pyridyl 1-oxide N-tert-butylnitrone (4-POBN)/ethanol, hydroxyl radical was detected as the alpha-hydroxyethyl spin trapped adduct of 4-POBN, 4-POBN-CH(CH3)OH, from phorbol 12-myristate 13-acetate-stimulated human neutrophils and monocytes without the addition of supplemental iron. Iron 334-338 spindlin 1 Homo sapiens 34-38 9995828-0 1990 Local-spin-density calculations for iron: Effect of spin interpolation on ground-state properties. Iron 36-40 spindlin 1 Homo sapiens 6-10 10042764-0 1990 Spin polarization of thermoemitted electrons from cesiated Ni and Fe. Iron 66-68 spindlin 1 Homo sapiens 0-4 9995828-0 1990 Local-spin-density calculations for iron: Effect of spin interpolation on ground-state properties. Iron 36-40 spindlin 1 Homo sapiens 52-56 9993337-0 1990 Spin-polarized photoemission studies of the adsorption of O and S on Fe(001). Iron 69-71 spindlin 1 Homo sapiens 0-4 10042933-0 1990 Spin relaxation in small free iron clusters. Iron 30-34 spindlin 1 Homo sapiens 0-4 34936798-0 2021 Moire Tuning of Spin Excitations: Individual Fe Atoms on MoS_{2}/Au(111). Iron 45-47 spindlin 1 Homo sapiens 16-20 33780054-0 2021 Low-Spin and High-Spin Perferryl Intermediates in Non-Heme Iron Catalyzed Oxidations of Aliphatic C-H Groups. Iron 59-63 spindlin 1 Homo sapiens 4-8 33780054-0 2021 Low-Spin and High-Spin Perferryl Intermediates in Non-Heme Iron Catalyzed Oxidations of Aliphatic C-H Groups. Iron 59-63 spindlin 1 Homo sapiens 18-22 34919297-0 2022 Spin states, bonding and magnetism in mixed valence iron(0)-iron(II) complexes. Iron 52-59 spindlin 1 Homo sapiens 0-4 34919297-3 2022 Mossbauer, magnetism and DFT analysis indicate that the most accurate electronic structure description is LFeII Fe0(CO)2Cp, in which the Fe(CO)2Cp is low-spin iron(0) and acts as an X-type ligand toward the high spin iron(II) of the LFe fragment. Iron 159-163 spindlin 1 Homo sapiens 154-158 34919297-3 2022 Mossbauer, magnetism and DFT analysis indicate that the most accurate electronic structure description is LFeII Fe0(CO)2Cp, in which the Fe(CO)2Cp is low-spin iron(0) and acts as an X-type ligand toward the high spin iron(II) of the LFe fragment. Iron 159-163 spindlin 1 Homo sapiens 212-216 34919297-3 2022 Mossbauer, magnetism and DFT analysis indicate that the most accurate electronic structure description is LFeII Fe0(CO)2Cp, in which the Fe(CO)2Cp is low-spin iron(0) and acts as an X-type ligand toward the high spin iron(II) of the LFe fragment. Iron 217-221 spindlin 1 Homo sapiens 154-158 34919297-3 2022 Mossbauer, magnetism and DFT analysis indicate that the most accurate electronic structure description is LFeII Fe0(CO)2Cp, in which the Fe(CO)2Cp is low-spin iron(0) and acts as an X-type ligand toward the high spin iron(II) of the LFe fragment. Iron 217-221 spindlin 1 Homo sapiens 212-216 34878783-5 2021 After doping of W at this boundary, W atoms will selectively substitute the Fe atoms of Fe2O3 that directly bond with three spin-polarized O atoms, thereby resulting in the complete neutralization of the magnetic moments of the spin-polarized O atoms. Iron 76-78 spindlin 1 Homo sapiens 124-128 34878783-5 2021 After doping of W at this boundary, W atoms will selectively substitute the Fe atoms of Fe2O3 that directly bond with three spin-polarized O atoms, thereby resulting in the complete neutralization of the magnetic moments of the spin-polarized O atoms. Iron 76-78 spindlin 1 Homo sapiens 228-232 34936798-3 2021 Even for equivalent adsorption sites with respect to the atomic MoS_{2} lattice, we observe that Fe adatoms exhibit behaviors ranging from pure spin excitations, characteristic of negligible exchange and dominant single-ion anisotropy, to a fully developed Kondo resonance, indicating strong exchange and negligible single-ion anisotropy. Iron 97-99 spindlin 1 Homo sapiens 144-148 34547208-12 2021 The Bronsted basicities of L1-L3 are very sensitive to the linkage isomerism of their triazolyl donors, which explains why their iron complex spin states show more variation than the better-known iron(II)/2,6-dipyrazolylpyridine system. Iron 129-133 spindlin 1 Homo sapiens 142-146 34570976-7 2021 More interestingly, we notice reversible spin textures by switching the FE polarization in CsPbF3 perovskite, making it potent for perovskite-based spintronic applications. Iron 72-74 spindlin 1 Homo sapiens 41-45 34473424-4 2021 Theoretical modeling suggests that the NRR preferably takes place on FeN4 instead of MoN4 , and the transition of Fe spin state significantly lowers the energy barrier of the potential determining step, which is conducive to the first hydrogenation of N2 . Iron 114-116 spindlin 1 Homo sapiens 117-121 34632222-3 2021 The concise physical/chemical picture, the critical spin polarizations, and orbital hybridizations in the Li-O and Fe-O bonds are clearly examined through geometric optimization, quasi-particle energy spectra, spin-polarized density of states, spatial charge densities, spin-density distributions, and strong optical responses. Iron 115-117 spindlin 1 Homo sapiens 210-214 34632222-3 2021 The concise physical/chemical picture, the critical spin polarizations, and orbital hybridizations in the Li-O and Fe-O bonds are clearly examined through geometric optimization, quasi-particle energy spectra, spin-polarized density of states, spatial charge densities, spin-density distributions, and strong optical responses. Iron 115-117 spindlin 1 Homo sapiens 270-274 34473424-3 2021 The neighboring MoN4 can regulate the spin state of Fe center in FeN4 from high-spin (dxy 2 dyz 1 dxz 1 d z 2 1 d x 2 - y 2 1 ) to medium-spin (dxy 2 dyz 2 dxz 1 d z 2 1 ), where the empty d orbitals and separate d electron favor the overlap of Fe 3d with the N 2p orbitals, more effectively activating N N triple bond. Iron 52-54 spindlin 1 Homo sapiens 38-42 34473424-3 2021 The neighboring MoN4 can regulate the spin state of Fe center in FeN4 from high-spin (dxy 2 dyz 1 dxz 1 d z 2 1 d x 2 - y 2 1 ) to medium-spin (dxy 2 dyz 2 dxz 1 d z 2 1 ), where the empty d orbitals and separate d electron favor the overlap of Fe 3d with the N 2p orbitals, more effectively activating N N triple bond. Iron 52-54 spindlin 1 Homo sapiens 80-84 34473424-3 2021 The neighboring MoN4 can regulate the spin state of Fe center in FeN4 from high-spin (dxy 2 dyz 1 dxz 1 d z 2 1 d x 2 - y 2 1 ) to medium-spin (dxy 2 dyz 2 dxz 1 d z 2 1 ), where the empty d orbitals and separate d electron favor the overlap of Fe 3d with the N 2p orbitals, more effectively activating N N triple bond. Iron 52-54 spindlin 1 Homo sapiens 143-147 34473424-3 2021 The neighboring MoN4 can regulate the spin state of Fe center in FeN4 from high-spin (dxy 2 dyz 1 dxz 1 d z 2 1 d x 2 - y 2 1 ) to medium-spin (dxy 2 dyz 2 dxz 1 d z 2 1 ), where the empty d orbitals and separate d electron favor the overlap of Fe 3d with the N 2p orbitals, more effectively activating N N triple bond. Iron 252-254 spindlin 1 Homo sapiens 38-42 34473424-3 2021 The neighboring MoN4 can regulate the spin state of Fe center in FeN4 from high-spin (dxy 2 dyz 1 dxz 1 d z 2 1 d x 2 - y 2 1 ) to medium-spin (dxy 2 dyz 2 dxz 1 d z 2 1 ), where the empty d orbitals and separate d electron favor the overlap of Fe 3d with the N 2p orbitals, more effectively activating N N triple bond. Iron 252-254 spindlin 1 Homo sapiens 143-147 34551530-10 2021 The FPA based on the linearized MR-DSRG theory with one- and two-body operators and up to a quintuple-zeta basis set predicts the spin splittings of (Fe(H2O)6)2+ and (Fe(NH3)6)2+ to be -35.7 and -17.1 kcal mol-1, respectively, showing good agreement with the results of local CC theory with singles, doubles, and perturbative triples. Iron 150-152 spindlin 1 Homo sapiens 130-134