Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+ Complex in CsCl Crystal

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	Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+ Complex in CsCl Crystal
	W. Fang; W. C. Zheng; D. X. Yang; H. Y. Tang
	2014
发表期刊	Acta Physica Polonica A
ISSN	0587-4246
卷号	125 期号:5 页码:1206-1209
摘要	The optical band positions and spin-Hamiltonian parameters (g factors g(i) and hyperfine structure constants A(i), where i = x, y, z) of the rhombic VO2+ complex in CsCl crystal are calculated together from two theoretical methods. One is the complete diagonalization (of energy matrix) method and another is the perturbation theory method. The calculated results from the two methods coincide and are in reasonable agreement with the experimental values. So, both methods are effective in the explanations of optical and electron paramagnetic resonance (EPR) data for d(1) ions in crystals. The calculations also suggest that in d(1) rhombic octahedra the ground state is almost a pure vertical bar d(xy)>) state. This point is different from that of conjugate d(9) (e.g., Cu2+) ions in rhombic octahedra where the ground state should be an admixture of ground and first excited states.
部门归属	[fang, w. ; yang, d. x. ; tang, h. y.] chongqing univ sci & technol, dept math & phys, chongqing 401331, peoples r china. [zheng, w. c.] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng, w. c.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; fang, w (reprint author), chongqing univ sci & technol, dept math & phys, chongqing 401331, peoples r china. ; mailfangwang@163.com
关键词	Electron-paramagnetic-res Single-crystals Epr-spectra Magnetic-resonance Vanadyl Ion Cu2++ Ions Esr Absorption Beryl V4++
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73223
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Fang,W. C. Zheng,D. X. Yang,et al. Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+ Complex in CsCl Crystal[J]. Acta Physica Polonica A,2014,125(5):1206-1209.
APA	W. Fang,W. C. Zheng,D. X. Yang,&H. Y. Tang.(2014).Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+ Complex in CsCl Crystal.Acta Physica Polonica A,125(5),1206-1209.
MLA	W. Fang,et al."Investigations of the Optical Band Positions and Spin-Hamiltonian Parameters for the Rhombic VO2+ Complex in CsCl Crystal".Acta Physica Polonica A 125.5(2014):1206-1209.