Search results for " electrons"

showing 10 items of 1168 documents

Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics

2020

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Currently, however, real-time Green's function simulations are either prohibitively expensive due to the cubic scaling with the propagation time or do neglect the feedback of electrons on the bosons, thus violating energy conservation. We put forward a computationally efficient Gree…

bosonitPropagation timePhotonPhononDegrees of freedom (physics and chemistry)FOS: Physical sciencesGeneral Physics and AstronomyElectronelektronit01 natural sciences7. Clean energy010305 fluids & plasmasCondensed Matter - Strongly Correlated Electronslaskennallinen tiede0103 physical sciencessimulointikvanttifysiikka010306 general physicsfononitBosonPhysicsConservation lawSettore FIS/03Strongly Correlated Electrons (cond-mat.str-el)Computational physicsRelaxation (physics)Physical Review Letters
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Underdamped soft phonon in orthorhombic BaTiO3

1990

Abstract Raman scattering measurements are reported in orthorhombic phase and through the orthorhombic-rhombohedral transition of BaTiO3. Spectra reveal the presence of an underdamped low frequency phonon which slightly softens with decreasing temperature and abruptly stiffens at the transition to the rhombohedral phase. Results are discussed in comparison with isomorphous KNbO3 and tetragonal BaTiO3 and are interpreted as due to a dominant displacive mechanism.

chemistry.chemical_classificationCondensed matter physicsPhononGeneral ChemistryLow frequencyCondensed Matter PhysicsSpectral lineCondensed Matter::Materials ScienceTetragonal crystal systemsymbols.namesakechemistryCondensed Matter::SuperconductivityPhase (matter)Materials ChemistrysymbolsCondensed Matter::Strongly Correlated ElectronsOrthorhombic crystal systemInorganic compoundRaman scatteringSolid State Communications
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Metamagnetic Behavior in [M (tvp) (NCS)2] Coordination Polymers (M = Fe(II) and Co(II); tvp = 1,2-di-(4-pyridyl)-ethylene)

1999

Abstract We report the synthesis and magnetic properties of two new coordination polymers of formula [M(tvp)(NCS)2] (M = Fe(II) and Co(II)). The magnetic data reveal the occurrence of metamagnetic behavior. Switching from bulk antiferromagnetic to ferromagnetic behavior occurs for magnetic fields greater than 1300 G (Fe(II)) and 450 G (Co(II)) at temperatures lower than 4 K. Both compounds are isomorphous. A molecular structure is suggested in the light of the magnetic properties and precedent data on related systems.

chemistry.chemical_classificationCoordination polymerStereochemistryPolymerComputer Science::Computational GeometryCondensed Matter PhysicsMagnetic susceptibilityMagnetic fieldCrystallographychemistry.chemical_compoundchemistryFerromagnetismMoleculeAntiferromagnetismCondensed Matter::Strongly Correlated ElectronsMetamagnetismMolecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
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Neutron-scattering studies on CeM2Ge2(M=Ag, Au, and Ru)

1992

The results of elastic, quasielastic, and inelastic neutron-scattering studies on polycrystalline CeM 2 Ge 2 (M=Ag, Au, and Ru) are presented. All compounds reveal long-range magnetic order at low temperatures. Ferromagnetic (M=Ru), antiferromagnetic (M=Au), and incommensurate (M=Ag) structures were detected. Using time-of-flight (TOF) techniques, the crystalline electric-field splittings were determined. With high-resolution TOF experiments the temperature and wave-vector dependence of the magnetic relaxation rate was studied

chemistry.chemical_classificationElastic scatteringMaterials scienceCondensed matter physicsMagnetic structureNuclear TheoryAnalytical chemistryNeutron scatteringInelastic scatteringchemistryFerromagnetismAntiferromagnetismCondensed Matter::Strongly Correlated ElectronsCrystalliteNuclear ExperimentInorganic compoundPhysical Review B
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Spin state switching in iron coordination compounds

2013

The article deals with coordination compounds of iron(II) that may exhibit thermally induced spin transition, known as spin crossover, depending on the nature of the coordinating ligand sphere. Spin transition in such compounds also occurs under pressure and irradiation with light. The spin states involved have different magnetic and optical properties suitable for their detection and characterization. Spin crossover compounds, though known for more than eight decades, have become most attractive in recent years and are extensively studied by chemists and physicists. The switching properties make such materials potential candidates for practical applications in thermal and pressure sensors …

chemistry.chemical_classificationLigand field theorycagespolyfunctional materialsSpin statesOrganic Chemistryphysical techniquesSpin transitionNanotechnologySpin engineeringiron(II) coordination compoundsReviewLIESSTCoordination complexCharacterization (materials science)lcsh:QD241-441Chemistrychemistryspin crossoverlcsh:Organic chemistryChemical physicsSpin crossoverCondensed Matter::Strongly Correlated Electronslcsh:Qlcsh:ScienceBeilstein Journal of Organic Chemistry
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Chiral Molecular Magnets: Synthesis, Structure, and Magnetic Behavior of the Series [M(L-tart)] (M = MnII, FeII, CoII, NiII;L-tart = (2R,3R)-(+)-tart…

2006

A new series of layered magnets with the formula [M(L-tartrate)] (M = Mn(II), Co(II), Fe(II), Ni(II); L-tartrate = (2R,3R)-(+)-tartrate) has been prepared. All of these compounds are isostructural and crystallize in the chiral orthorhombic space group I222, as found by X-ray structure analysis. Their structure consists of a three-dimensional polymeric network in which each metal shows distorted octahedral coordination bound to four L-tartrate ligands, two of which chelate through an alcohol and a carboxylate group and the other two bind terminally through a monodentate carboxylate group. The chirality of the ligand imposes a Delta conformation on all metal centers. Magnetically, the paramag…

chemistry.chemical_classificationLigandStereochemistryOrganic ChemistryGeneral ChemistryCatalysisCoordination complexCondensed Matter::Materials Sciencechemistry.chemical_compoundParamagnetismCrystallographychemistryFerromagnetismAntiferromagnetismCondensed Matter::Strongly Correlated ElectronsCarboxylateIsostructuralSpontaneous magnetizationChemistry - A European Journal
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Chemical Applications of Mössbauer Spectroscopy

2012

The Tutorial Lecture begins with a brief recapitulation of the hyperfine interactions and the relevant parameters observable in a Mossbauer spectrum. The main chapter with selected examples of chemical applications of Mossbauer spectroscopy follows and is subdivided into sections on: basic information on structure and bonding; switchable molecules (thermal spin transition in mono- and oligonuclear coordination compounds, light-induced spin transition, nuclear-decay-induced spin transition, spin transition in metallomesogens); mixed-valency in biferrocenes and other iron coordination compounds, and in an europium intermetallic compound; electron transfer in Prussian blue-analog complexes; mo…

chemistry.chemical_classificationMagnetismChemistrySpin transitionchemistry.chemical_elementNanotechnologyQuadrupole splittingCoordination complexCondensed Matter::Materials ScienceMössbauer spectroscopyPhysical chemistryMoleculeCondensed Matter::Strongly Correlated ElectronsEuropiumHyperfine structure
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Effects of pressure and of thermal history on the structural phase transition of KCN

1992

The cubic-noncubic structural phase transition of a KCN single crystal is studied as a function of thermal history and of hydrostatic pressure up to 2 kbar. The standard sequence of phases is cubic-monoclinic-orthorhombic on cooling and orthorhombic-cubic on heating. The monoclinic phase is also absent in first cooling runs at low pressures (p≦250 bar). The width of the monoclinic field inp, T phase diagram is increased in second cooling runs. The effects are discussed in terms of a martensitic transformation behavior and random strain fields.

chemistry.chemical_classificationMaterials scienceHydrostatic pressureThermodynamicsCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsCondensed Matter::Materials SciencePolymorphism (materials science)chemistryDiffusionless transformationX-ray crystallographyCondensed Matter::Strongly Correlated ElectronsGeneral Materials ScienceSingle crystalInorganic compoundMonoclinic crystal systemPhase diagramZeitschrift f�r Physik B Condensed Matter
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Spin crossover in soft matter

2014

Abstract This review article is devoted to the study of the spin crossover phenomenon in soft matter. Spin crossover compounds, though known for decades, bear the potential for practical applications in switching, sensing and display devices. Having arrived at a reasonable understanding of the spin transition process in solid and liquid states, one trend in this research field is to extend the knowledge into soft matter. The review begins with a brief description of Langmuir–Blodgett thin films based on FeII coordination compounds since it represents the first study of the spin crossover phenomenon in soft matter. The following section illustrates the FeII, FeIII and CoII complexes reported…

chemistry.chemical_classificationPhase transitionThermochromismValence (chemistry)Condensed matter physicsChemistrySpin transitionTautomerCoordination complexCondensed Matter::Soft Condensed MatterInorganic ChemistrySpin crossoverMaterials ChemistryCondensed Matter::Strongly Correlated ElectronsSoft matterPhysical and Theoretical ChemistryCoordination Chemistry Reviews
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Direct monitoring of spin state in dinuclear iron(II) coordination compounds

2001

So far there has been no direct method to determine the spin state of molecules in dinuclear iron(II) compounds. The molecular fractions of high-spin (HS) and low-spin (LS) species have been deduced from magnetic susceptibility and zero-field Mossbauer spectroscopy data irrespective of whether they belong to LS–LS, LS–HS and HS–HS pairs. However, the distinction of pairs becomes possible if Mossbauer measurements are carried out in an external magnetic field. The proposed method opens new possibilities in the study of spin crossover phenomena in dinuclear compounds.

chemistry.chemical_classificationSpin statesChemistryDirect methodGeneral Physics and AstronomyMagnetic susceptibilityCoordination complexMagnetic fieldCrystallographyNuclear magnetic resonanceSpin crossoverMössbauer spectroscopyMoleculeCondensed Matter::Strongly Correlated ElectronsPhysical and Theoretical ChemistryChemical Physics Letters
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