Theoretical studies of spin-Hamiltonian parameters for Ni2+ ions in CsMgX3 (X=Cl, Br, I) crystals from the two-mechanism model

2008 ◽  
Vol 403 (12) ◽  
pp. 2000-2003 ◽  
Author(s):  
Fang Wang ◽  
Wu Xiao-Xuan ◽  
Zheng Wen-Chen
Keyword(s):  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Mechanism Model ◽  
Hamiltonian Parameters

Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+centers in MgO and CaO

2009 ◽  
Vol 79 (6) ◽  
pp. 065702 ◽  
Author(s):  
Shao-Yi Wu ◽  
Hua-Ming Zhang ◽  
Yue-Xia Hu ◽  
Xue-Feng Wang
Keyword(s):  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

Theoretical studies of the Spin Hamiltonian Parameters for the orthorhombic Pr4+ ion in SrCeO3 crystal

2008 ◽  
Vol 451 (1-2) ◽  
pp. 705-707 ◽  
Author(s):  
Hui-Ning Dong ◽  
Shao-Yi Wu ◽  
Jun Liu ◽  
David J. Keeble
Keyword(s):  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

Theoretical studies of the local structure and spin Hamiltonian parameters for Rh2+:ZnWO4

2014 ◽  
Vol 451 ◽  
pp. 80-83 ◽  
Author(s):  
Chang-Chun Ding ◽  
Shao-Yi Wu ◽  
Min-Quan Kuang ◽  
Yong-Kun Cheng ◽  
Li-Juan Zhang
Keyword(s):  
Local Structure ◽  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

Theoretical studies of spin-Hamiltonian parameters of Mo5+ ion doped in K2SnCl6 crystal

2013 ◽  
Vol 429 ◽  
pp. 24-27 ◽  
Author(s):  
Wang Fang ◽  
Da-Xiao Yang ◽  
Heng-Jie Chen ◽  
Hai-Yan Tang
Keyword(s):  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

Investigations of the spin Hamiltonian parameters for VO2+ ions in KZnClSO4 ⋅ 3H2O single crystals

2017 ◽  
Vol 31 (02) ◽  
pp. 1650262
Author(s):  
Chao Tu ◽  
Linhua Xie ◽  
Xiangrong Du
Keyword(s):  
Single Crystals ◽  
Coupling Model ◽  
Spin Hamiltonian ◽  
Third Order ◽  
Ion Clusters ◽  
Mechanism Model ◽  
Double Spin ◽  
State Formula ◽  
High Valence State ◽  
Hamiltonian Parameters

The spin Hamiltonian parameters of VO[Formula: see text] in KZnClSO[Formula: see text]3H2O single crystals are calculated from the third-order perturbation formulas based on the double spin–orbit coupling model for the tetragonal transition-ion clusters in crystals with the ground state [Formula: see text]. In the paper, both the crystal-field (CF) mechanism and the charge-transfer (CT) mechanism (double-mechanism model) are considered to calculate the spin Hamiltonian parameters. The calculated results are in agreement with the experimental data. Moreover, the calculated results show that the CT mechanism cannot be omitted for a high-valence state V[Formula: see text] ions in KZnClSO[Formula: see text]3H2O single crystals. The tetragonal field parameters are also acquired in the paper.

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