Theoretical explanation of electron paramagnetic resonance spectral data in vanadyl doped CdNaPO4•6H2O crystal

被引：5
|
作者：
Huang, Yong-Ping [1 ]
Zhang, Zhang [2 ]
Yu, Bang-Liang [3 ]
机构：
[1] Yibin Univ, Computat Phys Key Lab Sichuan Prov, Inst Phys, Yibin 644007, Peoples R China
[2] China West Normal Univ, Sch Phys & Elect Informat, Nanchong 637002, Peoples R China
[3] Hainan Med Coll, Dept Pharm, Haikou 570101, Peoples R China
来源：
OPTIK | 2013年 / 124卷 / 20期
关键词：
Electron paramagnetic resonance; Double spin-orbit coupling parameters model; Vanadyl ion; CdNaPO4 center dot 6H(2)O; ATOMIC SCREENING CONSTANTS; OPTICAL-ABSORPTION; ESR PARAMETERS; LOCAL LATTICE; EPR; IONS; YB3+; MODEL;
D O I：
10.1016/j.ijleo.2013.01.040
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
The electron paramagnetic resonance in vanadyl, i.e., VO2+, doped CdNaPO4 center dot 6H(2)O has been theoretically studied in the present work. The spin Hamiltonian parameters g factors (g(parallel to) and g(perpendicular to)), dipolar hyperfine coupling parameters A (A(parallel to) and A(perpendicular to)) and Fermi contact interaction parameter, K, have been calculated by double spin-orbit coupling parameters model and high-order perturbation formulas. It has been found that V4+ ions in the crystal exist as VO2+ in octahedral coordination with a large tetragonal distortion. Results suggest that the quantity of tetragonal distortion of the [VO6](8-) cluster is Delta R = 0.4707 angstrom. The validity of theoretical EPR data has also been discussed. (C) 2013 Elsevier GmbH. All rights reserved.
引用
收藏
页码：4533 / 4535
页数：3
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