Theoretical studies of the g factors and local structures of the Ni3+ centers in Na2 Zn(SO4 )2 ·4H2 O and K2 Zn(SO4 )2 ·6H2 O crystals

2020 ◽  
Author(s):  
B.J. Chen ◽  
Y.D. Li ◽  
C.D. Feng ◽  
H.M. Zhang ◽  
C. Yan ◽  
...  
Keyword(s):  
Theoretical Studies ◽  
Local Structures ◽  
G Factors

Theoretical studies of the EPR spectra and local structures for Cu2+ and V4+ doped halo-borate glasses

2021 ◽  
Vol 271 ◽  
pp. 115245
Author(s):  
Wei Jin ◽  
Xiao-Hong Chu ◽  
Chang-Chun Ding ◽  
Yong-Gen Xu ◽  
Jia Fu ◽  
...  
Keyword(s):  
Epr Spectra ◽  
Borate Glasses ◽  
Theoretical Studies ◽  
Local Structures

Theoretical Studies of Energy Spectra and g Factors of Cr 3+ -Doped YAl 3 (BO 3 ) 4

2006 ◽  
Vol 45 (6) ◽  
pp. 1121-1125 ◽  
Author(s):  
Zhang Ji-Ping ◽  
Chen Gang ◽  
Zhou Hua-Bin
Keyword(s):  
Energy Spectra ◽  
Theoretical Studies ◽  
G Factors

Theoretical Studies of the g Factors for Co2+ in MgO and CaO Crystals

2001 ◽  
Vol 56 (3-4) ◽  
pp. 249-252 ◽  
Author(s):  
Shao-Yi Wu ◽  
Wen-Chen Zheng
Keyword(s):  
Configuration Interaction ◽  
Optical Spectra ◽  
Theoretical Studies ◽  
Cluster Approach ◽  
Experimental Values ◽  
Good Agreement ◽  
G Factors

Abstract This paper presents a cluster approach to the calculation of the g factors for 3d7 ions in cubic oc­ tahedral crystals, in which the parameters related to the configuration interaction and the covalency reduction effects are obtained from optical spectra of the studied crystals, and so no adjustable parameters are applied. From the approach, the g factors for MgO:Co2+ and CaO:Co2+ are cal­culated. The calculated results show good agreement with the observed values. The experimental values of g 4.333 for CaO:Co2+ are also explained.

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.

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