Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)

doi:10.1088/0031-8949/84/02/025702

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	Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)
	Zheng, Wen-Chen 1; Zhang, Dong-Ting 1; He, Lv 2,3; Su, Ping 1
通讯作者	Zheng, Wen-Chen(zhengwc1@163.com)
	2011-08-01
发表期刊	PHYSICA SCRIPTA
ISSN	0031-8949
卷号	84 期号:2 页码:4
摘要	The four optical band positions and six spin-Hamiltonian parameters (the g factors g(i) and the hyperfine structure constants A(i), i = x, y, z) for the rhombic Cu2+ center in fi-Ca-3(PO4)(2) are calculated by two theoretical methods: the complete diagonalization (of energy matrix) method and the perturbation theory method (PTM). Both methods are based on the cluster approach, in which the covalence due to admixture of ligands to the central metal ion is considered. The calculated results of the two methods are close to each other and agree with the experimental values. This suggests that both methods are effective in explaining the optical and electron paramagnetic resonance data for d(9) ions in crystals. The calculations also show that although the admixture of vertical bar d(z)(2)> to the ground state wave function is small, it should not be neglected in calculations of spin-Hamiltonian parameters. So, in PTM, the high-order perturbation formulae of spin-Hamiltonian parameters based on the cluster approach for d(9) ion in rhombic symmetry should be derived by taking into account the admixture of the vertical bar d(z)(2)> state to the vertical bar d(x2-y2)> ground state.
DOI	10.1088/0031-8949/84/02/025702
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000294727900028
出版者	IOP PUBLISHING LTD
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/104296
专题	中国科学院金属研究所
通讯作者	Zheng, Wen-Chen
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zheng, Wen-Chen,Zhang, Dong-Ting,He, Lv,et al. Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)[J]. PHYSICA SCRIPTA,2011,84(2):4.
APA	Zheng, Wen-Chen,Zhang, Dong-Ting,He, Lv,&Su, Ping.(2011).Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2).PHYSICA SCRIPTA,84(2),4.
MLA	Zheng, Wen-Chen,et al."Investigation of the optical spectra and spin-Hamiltonian parameters for the rhombic Cu2+ center in beta-Ca-3(PO4)(2)".PHYSICA SCRIPTA 84.2(2011):4.