Investigations of the Isotropic G Factors for the Cubic Fe+ Centers in LiF and NaF

2013 ◽  
Vol 634-638 ◽  
pp. 91-94
Author(s):  
Xian Fen Hu ◽  
Shao Yi Wu ◽  
Min Quan Kuang ◽  
Bo Tao Song
Keyword(s):  
Crystal Field ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Cubic Crystal ◽  
G Factor ◽  
Perturbation Formula ◽  
Ligand Orbital ◽  
G Factors

The g factors for the cubic Fe+centers in LiF and NaF are theoretically investigated from the perturbation formula of the g factor for an octahedral 3d7cluster including the contributions from the ligand orbital and spin-orbit coupling interactions. The increasing order of the g factor (i.e., LiF < NaF) can be ascribed to the decrease in covalency and the strength of cubic crystal-field of the systems. The validity of the results is discussed.

Theoretical studies of the anisotropic g factors for deoxygenated Y123

2015 ◽  
Vol 29 (25n26) ◽  
pp. 1542017
Author(s):  
L. J. Zhang ◽  
S. Y. Wu ◽  
C. C. Ding ◽  
Y. K. Cheng
Keyword(s):  
Experimental Data ◽  
Orbit Coupling ◽  
Theoretical Studies ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Cluster Approach ◽  
Ligand Orbital ◽  
Y123 System ◽  
Good Agreement ◽  
G Factors

The anisotropic [Formula: see text] factors of the deoxygenated YBaCuO (Y123) are theoretically studied using the perturbation formulas of the [Formula: see text] factors for a tetragonally elongated octahedral [Formula: see text] cluster. The ligand orbital and spin-orbit coupling contributions are included from the cluster approach in view of covalency. The calculated [Formula: see text] factors show good agreement with the experimental data. The anisotropy of the [Formula: see text] factors is analyzed by considering the local tetragonal elongation distortion around this five-fold coordinated [Formula: see text] site in the deoxygenated Y123 system.

Investigations Of The G Factors Of Fe+ In Mgo And Cao

2005 ◽  
Vol 60 (5) ◽  
pp. 366-368 ◽  
Author(s):  
Shao-Yi Wu ◽  
Hui-Ning Dong
Keyword(s):  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Octahedral Symmetry ◽  
Cluster Approach ◽  
Coupling Interaction ◽  
Perturbation Formula ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
G Factors

The g factors of Fe+ in MgO and CaO are theoretically investigated by the perturbation formula of the g factor of a 3d7 ion in cubic octahedral symmetry based on the cluster approach. By considering the partial quenching of the spin-orbit coupling interaction and the effective Land´e factor due to the dynamic Jahn-Teller effect (DJTE), the experimental g factors of the studied systems are reasonably interpreted. It can be suggested that the small g factors of the Fe+ centers in MgO and CaO can be likely attributed to the DJTE, rather than the covalency effect within the scheme of the static crystalfield model.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

2018 ◽  
Vol 112 (7) ◽  
pp. 071903 ◽  
Author(s):  
Nicolas Chauvin ◽  
Amaury Mavel ◽  
Ali Jaffal ◽  
Gilles Patriarche ◽  
Michel Gendry
Keyword(s):  
Crystal Field ◽  
Orbit Coupling ◽  
Crystal Field Splitting ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Field Splitting

Space-group operations and time-reversal for a Dirac electron in a crystal field

1958 ◽  
Vol 243 (1235) ◽  
pp. 546-554 ◽  
Keyword(s):  
Dirac Equation ◽  
Crystal Field ◽  
Time Reversal ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Band Theory ◽  
Space Group ◽  
Basic Formalism ◽  
Dirac Electron

It is shown in the first part how the basic formalism of the theory of spin-orbit coupling in the band theory of crystals can be deduced at once from the Dirac equation without the usual ambiguities over improper rotations associated with the formalism based on the Pauli-Schrödinger equation. In the second part it is shown that the original proofs of the time-reversal theorems given by Wigner are unnecessarily complicated.

Study on the Absorption Spectra of Ga2Se3:Co2+ Single Crystals

2009 ◽  
Vol 64 (12) ◽  
pp. 834-836
Author(s):  
Chao Ni ◽  
Yi Huang ◽  
Maolu Du
Keyword(s):  
Experimental Data ◽  
Fine Structure ◽  
Bond Length ◽  
Single Crystals ◽  
Crystal Field ◽  
Energy Levels ◽  
Crystal Field Parameter ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Cubic Crystal

Introducing the average covalent factor N and considering the interaction of the cubic crystal field, the spin-orbit coupling and Tree’s correction effects, the crystal field parameter Dq was calculated. Also the varying tendency of Dq with the bond length R was investigated. Using the complete diagonalizing method the energy levels of the fine structure of Ga2Se3:Co2+ single crystal were calculated and assigned. The calculated and assigned results are consistent with the experimental data

On the magnetic anisotropy and susceptibility of Fe(NH 4 SO 4 ) 2 , 6H 2 O

1961 ◽  
Vol 261 (1305) ◽  
pp. 207-214 ◽  
Keyword(s):  
Thermal Expansion ◽  
Magnetic Anisotropy ◽  
Crystal Lattice ◽  
Crystal Field ◽  
Coupling Coefficient ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Anisotropic Part ◽  
Free Ion

The theory of magnetic anisotropy and susceptibility of Fe 2+ in Tutton salts has been worked out on the basis of Abragam & Pryce’s method. It is found that the anisotropic part of the crystal field changes with temperature owing to the thermal expansion of the crystal lattice. The spin-orbit coupling coefficient has to be decreased by ~ 20 % from its free ion value of - 103 cm -1 which indicates some amount of overlap between the 3 d -Fe 2+ and 8 - and p -O 2- charge clouds. The agreement of the theoretical values with the experiment is good within the limitations of the approximations involved.

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