The EPR Zero-Field Splitting D and its Pressure and Temperature Dependence for Trigonal Mn2+ Centers in [Zn(H2O)6](BF4)2:Mn2+ Crystal

2006 ◽  
Vol 61 (5-6) ◽  
pp. 289-292 ◽  
Author(s):  
Hong-Gang Liu ◽  
Xiao-Xuan Wu ◽  
Wen-Chen Zheng ◽  
Lv He
Keyword(s):  
Temperature Dependence ◽  
Room Temperature ◽  
Coupling Mechanism ◽  
Zero Field ◽  
Spin Orbit Coupling ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Thermal Expansion Coefficients ◽  
Perturbation Formula ◽  
Expansion Coefficients

The EPR zero-field splitting D (= b02 ) and its pressure and temperature dependence for trigonal Mn2+ centers in low and room temperature phases in [Zn(H2O)6](BF4)2 :Mn2+ crystal are studied by a high-order perturbation formula based on the dominant spin-orbit coupling mechanism. From the studies, the local trigonal distortion angles, the local angular compressibilities and the local angular thermal expansion coefficients for Mn2+ centers in both phases of the [Zn(H2O)6](BF4)2 crystal are estimated. The results are discussed

Studies of the Zero-Field Splitting for Mn2+ In 6H-RbMgF3 Crystal

2004 ◽  
Vol 59 (12) ◽  
pp. 961-963 ◽  
Author(s):  
Wen-Chen Zheng ◽  
Yang Mei ◽  
Xiao-Xuan Wu ◽  
Qing Zhou
Keyword(s):  
Structural Data ◽  
Orbit Coupling ◽  
Site Symmetry ◽  
Coupling Mechanism ◽  
Zero Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Superposition Model ◽  
Zero Field Splitting ◽  
Field Splitting

By using the spin-orbit coupling mechanism and the empirical superposition model, the zero-field splittings D of Mn2+ ions on both Mg2+ sites in hexagonal 6H-RbMgF3 crystal are calculated from the structural data of both Mg2+ sites. The calculated results of both methods confirm the suggestion that Mn2+ in 6H-RbMgF3 occupies the Mg2+ (I) site (which has D3d site symmetry) and the zero-field splitting D of 6H-RbMgF3: Mn2+ is explained reasonably.

Zur paramagnetischen Elektronenresonanz metallorganischer Sandwich-Verbindungen, Teil I / The magnetic resonance properties of some sandwich compounds, part i

1972 ◽  
Vol 27 (7) ◽  
pp. 1082-1093
Author(s):  
R Krieger ◽  
J Voitländer
Keyword(s):  
Zero Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Degenerate Ground State ◽  
Resonance Properties ◽  
Rhombic Distortion ◽  
Combined Action ◽  
Low Symmetry

AbstractThe zero-field splitting and g-values of manganocene and chromocene have been calculated. The wave functions were obtained by means of a self-consistent charge extended Huckel method. The calculated values g||=2.0034 and g⊥ = 2.0033 of manganocene agree fairly well with the experi­mental results obtained from ESR measurements. The very large computed zero-field splitting D= -0.24 cm-1 explains that there has been observed only one ESR transition though mangano­cene is in a spin-5/2 state. For chromocene no ESR transition has been found until now. We therefore studied the splitting of the orbitally degenerate ground state by the combined action of spin-orbit coupling and low-symmetry perturbation. The predicted splitting is strongly dependent on the magnitude of the rhombic distortion compared to the spin-orbit interaction. The g-values are highly anisotropic, with g|| =2.49 and g⊥ =1.97

An Electron Paramagnetic Resonance Investigation of Iron-Indium Pairs in Silicon

1989 ◽  
Vol 163 ◽  
Author(s):  
P. Emanuelsson ◽  
W. Gehlhoff ◽  
P. Omling ◽  
H. G. Grimmeiss
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Temperature Dependence ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Paramagnetic Resonance ◽  
Field Splitting ◽  
Resonance Investigation ◽  
Electron Paramagnetic Resonance Investigation ◽  
Electron Paramagnetic

AbstractThree different Electron Paramagnetic Resonance (EPR) signals, one trigonal and two orthorhombic, which originates from iron-indium pairs in silicon are investigated. It is shown that the two orthorhombic spectra can be explained as transitions within the two doublets of a S=3/2 system with a large zero-field splitting. The temperature dependence of-the intensities reveals that the newly discovered spectrum corresponds to the lower doublet and that the zero-field splitting is 9.8 ± 2.0 cm-1.

Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC

2010 ◽  
Vol 645-648 ◽  
pp. 403-406 ◽  
Author(s):  
Andreas Scholle ◽  
Siegmund Greulich-Weber ◽  
Eva Rauls ◽  
Wolf Gero Schmidt ◽  
Uwe Gerstmann
Keyword(s):  
Fine Structure ◽  
Room Temperature ◽  
Positive Sign ◽  
Spin Interaction ◽  
Zero Field ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Defect Center ◽  
Field Splitting ◽  
Annealing Behavior

In non-annealed 6H-SiC samples that were electron irradiated at room temperature, a new EPR signal due to a S=1 defect center with exceptionally large zero-field splitting (D = +652•10-4 cm-1) has been observed under illumination. A positive sign of D demonstrates that the spin-orbit contribution to the zero-field splitting exceeds by far that of the spin-spin interaction. A principal axis of the fine structure tilted by 59° against the crystal c-axis as well as the exceptionally high zero-field splitting D can be qualitatively understood by the occurrence of additional close-lying defect levels in defect clusters resulting in comparatively large second-order spin-orbit coup¬ling. A tentative assignment to vacancy clusters is supported by the observed annealing behavior.

Investigation of the Zero-Field Splitting of d8 Ions in Pseudo-tetragonal Ni(II) Compounds

1994 ◽  
Vol 49 (11) ◽  
pp. 1013-1015 ◽  
Author(s):  
Jia-Jun Chen ◽  
Mao-Lu Du ◽  
Zhao-Ming Li
Keyword(s):  
Metal Ion ◽  
Tetragonal Symmetry ◽  
Zero Field ◽  
Central Metal ◽  
Spin Orbit Coupling ◽  
Cluster Approach ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Central Transition ◽  
Ion Yields

Abstract This paper presents a cluster approach to the zero-field splitting (ZFS) of the ground state 3A2(F) of d8 ions with tetragonal symmetry, in which not only the spin-orbit coupling of the central transition-metal-ion but also that of ligands contributes. For some pseudo-tetragonal Ni(II) com­ pounds the calculated values of the ZFS parameter follow the order Cl-> Br-> I-. This agrees with the experimental finding, while the pure crystal field approach considering only the coupling of central metal ion yields the opposite trend.

Studies of EPR Parameters and Local Structure for Cr3+ in NaInS2 Crystal

2005 ◽  
Vol 60 (1-2) ◽  
pp. 91-94
Author(s):  
Yang Mei ◽  
Wen-Chen Zheng ◽  
Xiao-Xuan Wu ◽  
Qing Zhoua
Keyword(s):  
Local Structure ◽  
Coupling Parameter ◽  
Orbit Coupling ◽  
Zero Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Epr Parameters ◽  
Local Angle

The EPR parameters (zero-field splitting D and g factors g‖, g⊥) of Cr3+ in a NaInS2 crystal are calculated from high-order perturbation formulas based on the two spin-orbit coupling parameter model for the EPR parameters of 3d3 ions in trigonal octahedral sites. In the calculations, both the contribution to EPR parameters from the spin-orbit coupling parameter of the central 3d3 ion and that of ligands are considered. From the calculations it is found that, to explain reasonably the EPR parameters, the local structure (in particular the local trigonal distortion angle θ ) in the vicinity of the Cr3+ impurity is different from the corresponding structure in the host crystal. The change of the local angle θ with temperature is also obtained from the temperature dependence of zero-field splitting. The results are discussed.

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