Magnetism, exchange and crystal field parameters in the orbitally unquenched Ising antiferromagnet FePS3

FePS3 is a layered antiferromagnet (T N=123 K) with a marked Ising anisotropy in magnetic properties. The anisotropy arises from the combined effect of the trigonal distortion from octahedral symmetry and spin-orbit coupling on the orbitally degenerate5 T 2g ground state of the Fe2+ ion. The anisotropic paramagnetic susceptibilities are interpreted in terms of the zero field Hamiltonian, ?=?i [?(L iz 2 ?2)+|?|L i .S i ]?? ij J ij S i .S j . The crystal field trigonal distortion parameter ?, the spin-orbit coupling ? and the isotropic Heisenberg exchange,J ij, were evaluated from an analysis of the high temperature paramagnetic susceptibility data using the Correlated Effective Field (CEF) theory for many-body magnetism developed by Lines. Good agreement with experiment were obtained for ?/k=215.5 K; ?/k=166.5 K;J nn k=27.7 K; andJ nnn k=?2.3 K. Using these values of the crystal field and exchange parameters the CEF predicts aT N=122 K for FePS3, which is remarkably close to the observed value of theT N. The accuracy of the CEF approximation was also ascertained by comparing the calculated susceptibilities in the CEF with the experimental susceptibility for the isotropic Heisenberg layered antiferromagnet MnPS3, for which the high temperature series expansion susceptibility is available.

Crystal-field interaction in the pyrochlore magnet Ho2Ti2O7

Neutron time-of-flight spectroscopy has been employed to study the crystal-field interaction in the pyrochlore titanate Ho2Ti2O7. The crystal-field parameters and corresponding energy-level scheme have been determined from a profile fit to the observed neutron spectra. The ground state is a well separated Eg doublet with a strong Ising-like anisotropy, which can give rise to frustration in the pyrochlore lattice. Using the crystal-field parameters determined for the Ho compound as an estimate of the crystal-field potential in other pyrochlore magnets, we also find the Ising type behavior for Dy. In contrast, the almost planar anisotropy found for Er and Yb prevents frustration, because of the continuous range of possible spin orientations in this case.

Role of Crystal Field in Mixed Alkali Metal Effect: Electron Paramagnetic Resonance Study of Mixed Alkali Metal Oxyfluoro Vanadate Glasses

The mixed alkali metal effect is a long-standing problem in glasses. Electron paramagnetic resonance (EPR) is used by several researchers to study the mixed alkali metal effect, but a detailed analysis of the nearest neighbor environment of the glass former using spin-Hamiltonian parameters was elusive. In this study we have prepared a series of vanadate glasses having general formula (mol %) 40 V2O5-30BaF(2)-(30 - x)LiF-xRbF with x = 5, 10, 15, 20, 25, and 30. Spin-Hamiltonian parameters of V4+ ions were extracted by simulating and fitting to the experimental spectra using EasySpin. From the analysis of these parameters it is observed that the replacement of lithium ions by rubidium ions follows a ``preferential substitution model''. Using this proposed model, we were able to account for the observed variation in the ratio of the g parameter, which goes through a maximum. This reflects an asymmetric to symmetric changeover of. the alkali metal ion environment around the vanadium site. Further, this model also accounts for the variation in oxidation state of vanadium ion, which was confirmed from the variation in signal intensity of EPR spectra.

Raman Evidence for Coupling of Superconducting Quasi-Particles with a Phonon and Crystal Field Excitation in Superconductor Ce0.6Y0.4FeAsO0.8F0.2

We report inelastic light scattering experiments on superconductor Ce0.6Y0.4FeAsO0.8F0.2 from 4K to 300K covering the superconducting transition temperature T-c similar to 48.6K. A strong evidence of the superconductivity induced phonon renormalization for the A(1g) phonon mode near 150cm(-1) associated with the Ce/Y vibrations is observed as reflected in the anomalous red-shift and decrease in the linewidth below T-c. Invoking the coupling of this mode with the superconducting gap, the superconducting gap (2 Delta) at zero temperature is estimated to be similar to 20meV i.e the ratio 2 Delta(0)/k(B)T(c) is similar to 5, suggesting Ce0.6Y0.4FeAsO0.8F0.2 to belong to the class of strong coupling superconductors. In addition, the mode near 430cm(-1) associated with Ce3+ crystal field excitation also shows anomalous increase in its linewidth below T-c suggesting strong coupling between crystal field excitation and the superconducting quasi-particles.

Relation between Stabilization Energy, Crystal Field Coefficient and the Magnetic Exchange Interaction for Tb3+ Ion

Based on a single ion model, Hamiltonian of the simplest form about magnetocrystalline anisotropy for Tb3+ ion was solved by using the numerical method. The relation between the stabilization energy, crystal field coefficient B-2(0) and the magnetic exchange interaction was studied as temperature approaches to 0 K. The results show that the stabilization energy contributed by Tb3+ is linear with crystal field coefficient B-2(0) approximately, but it is insensitive to the change of magnetic exchange interaction for the strong magnetic substances such as TbCo5, Tb2Co17 and Tb2Fe14B compounds.

I. Spectroscopic evidence for slow vibrational relaxation in excited electronic states of diatomics in rare gas solids. II. Static crystal field effects in the electronic spectra of isotopically mixed benzene crystals

Part I

Studies of vibrational relaxation in excited electronic states of simple diatomic molecules trapped in solid rare-gas matrices at low temperatures are reported. The relaxation is investigated by monitoring the emission intensity from vibrational levels of the excited electronic state to vibrational levels of the ground electronic state. The emission was in all cases excited by bombardment of the doped rare-gas solid with X-rays.

The diatomics studied and the band systems seen are: N₂, Vegard-Kaplan and Second Positive systems; O₂, Herzberg system; OH and OD, A ²Σ⁺ - X²II_i system. The latter has been investigated only in solid Ne, where both emission and absorption spectra were recorded; observed fine structure has been partly interpreted in terms of slightly perturbed rotational motion in the solid. For N₂, OH, and OD emission occurred from v' > 0, establishing a vibrational relaxation time in the excited electronic state of the order, of longer than, the electronic radiative lifetime. The relative emission intensity and decay times for different v' progressions in the Vegard-Kaplan system are found to depend on the rare-gas host and the N₂ concentration, but are independent of temperature in the range 1.7°K to 30°K.

Part II

Static crystal field effects on the absorption, fluorescence, and phosphorescence spectra of isotopically mixed benzene crystals were investigated. Evidence is presented which demonstrate that in the crystal the ground, lowest excited singlet, and lowest triplet states of the guest deviate from hexagonal symmetry. The deviation appears largest in the lowest triplet state and may be due to an intrinsic instability of the ³B_1u state. High resolution absorption and phospho- rescence spectra are reported and analyzed in terms of site-splitting of degenerate vibrations and orientational effects. The guest phosphorescence lifetime for various benzene isotopes in C₆D₆ and sym-C₆H₃D₃ hosts is presented and discussed.

Crystal-Field Symmetry of Luminescence Center in Er-Implanted Silicon

于2010-11-23批量导入

Dependence of crystal field splitting of 5d levels on hosts in the halide crystals

The crystal field splitting of 5d level of EU2+ and Ce3+ in halide crystals has been studied. Our results indicate that the 10Dq splitting can be directly related to the homopolar part of average energy gap, the coordination number of central (doped) ion, the charge of neighboring anions and bond ionicity between central ion to nearest anions. A relation between the 10Dq splitting and the above mentioned factors is presented. Our calculated results are in reasonable agreement with diverse experiments.

Crystal field splitting of Nd3+ ion and chemical bonds on the host crystals

In terms of the theory of chemical bonds on complex crystals(CBCC), the crystal structure and coordination, the chemical bond parameters of a group of ABO(4)-type crystals were calculated in detail, The results show that the relation between the crystal field splitting of Nd3+ ion and the covalency of the crystal is linear.

EFFECT OF CRYSTAL-FIELD AND BONDING PROPERTIES ON SPECTRAL STRUCTURE OF EU-2+

Five Eu~(2+)-doped simple fluorides and six Eu~(2+)-doped complex fluorides are synthesized by solid reactions. The strength of the crystal-field at the sites of Eu~(2+) ion, and the degroe of covalenco of Eu—F bond in these hosts are discussed. The f-f transition emission of Eu~(2+) ion is observed in the hosts which has lower coordination number and strong crystal-field. The f-f transition emission of Eu~(2+) ion is observed for the first time in the simple fluoride AlF_3.

THE INFLUENCE OF CRYSTAL-FIELD AND COVALENT CHARACTERISTICS ON THE ELECTRONIC-TRANSITION EMISSION OF EU-2+ ION

In most cases the luminescence of Eu~(2+) consists of a d-f broad-band emission, in some particular hosts, however, Eu~(2+) can also give out f-f narrow-line emission. There are two factors of importance here: the first is the strength of the crystal-field

Exchange and crystal field effects in the ESR spectra of Eu(2+) in LaB(6)

Electron spin resonance of Eu(2+) (4f(7), S=7/2) in a La hexaboride (LaB(6)) single crystal shows a single anisotropic Dysonian resonance. From the observed negative g shift of the resonance, it is inferred that the Eu(2+) ions are covalent exchange coupled to the B 2p-like host conduction electrons. From the anisotropy of the spectra (linewidth and field for resonance), we found that the S ground state of Eu(2+) ions experience a cubic crystal field of a negative fourth order crystal field parameter (CFP), b(4)=-11.5(2.0) Oe, in agreement with the negative fourth order CFP, A(4), found for the non-S ground state R hexaborides. These results support covalency as the dominant contribution to the fourth order CFP for the whole R hexaboride family.