Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystal

doi:10.1016/j.jlumin.2009.07.001

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	Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystal
	Zhang Dong-Ting 1; He Lv 1,2; Yang Wei-Qing 1,3; Zheng Wen-Chen 1,4
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	2009-11-01
发表期刊	JOURNAL OF LUMINESCENCE
ISSN	0022-2313
卷号	129 期号:11 页码:1371-1374
摘要	Two theoretical methods, the perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM), are applied to calculate the spin-Hamiltonian parameters (g-factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to), obtained from electron paramagnetic resonance (EPR) spectra) and d-d transitions (obtained from optical spectra) for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystals. The Cu2+(I) ion replaces the Zn2+ ion at tetragonally compressed octahedral coordination and has the ground state (2)A(1)(vertical bar d(z2) >),whereas the Cu2+(II) ion is at an interstitial site with a square-planar F-coordination and has the ground state B-2(2)(vertical bar d(x2-y2>)). The calculated spin-Hamiltonian parameters and d-d transitions from the PTM and CDM coincide and are in reasonable agreement with the experimental values. This suggests that both methods are effective for the theoretical studies of EPR and optical spectral data for 3d(9) ions in tetragonal symmetry with different ground states. The defect structures of the two Cu2+ centers in Ba2ZnF6:Cu2+ are also estimated. (c) 2009 Elsevier B.V. All rights reserved.
关键词	Electron paramagnetic resonance (EPR) d-d transition Crystal-field theory Defect structure Cu2+ Ba2ZnF6
DOI	10.1016/j.jlumin.2009.07.001
收录类别	SCI
语种	英语
WOS研究方向	Optics
WOS类目	Optics
WOS记录号	WOS:000270067200024
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：9[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/321006/96212
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.Chengdu Univ Informat Technol, Dept Opt & Elect, Chengdu 610225, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zhang Dong-Ting,He Lv,Yang Wei-Qing,et al. Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystal[J]. JOURNAL OF LUMINESCENCE,2009,129(11):1371-1374.
APA	Zhang Dong-Ting,He Lv,Yang Wei-Qing,&Zheng Wen-Chen.(2009).Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystal.JOURNAL OF LUMINESCENCE,129(11),1371-1374.
MLA	Zhang Dong-Ting,et al."Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu2+ centers in Ba2ZnF6:Cu2+ crystal".JOURNAL OF LUMINESCENCE 129.11(2009):1371-1374.