Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystal

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	Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystal
	D. T. Zhang; L. He; W. Q. Yang; W. C. Zheng
	2009
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 Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystals. The Cu(2+)(I) ion replaces the Zn(2+) ion at tetragonally compressed octahedral coordination and has the ground state (2)A(1)(vertical bar d(z2) >),whereas the Cu(2+)(II) ion is at an interstitial site with a square-planar F-coordination and has the ground state (2)B(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 Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) are also estimated. (c) 2009 Elsevier B.V. All rights reserved.
部门归属	[zhang dong-ting; he lv; yang wei-qing; zheng wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [he lv] zhejiang normal univ, dept phys, jinhua 321004, peoples r china. [yang wei-qing] chengdu univ informat technol, dept opt & elect, chengdu 610225, peoples r china. [zheng wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance (Epr) D-d Transition Crystal-field Theory Defect Structure Cu(2+) Ba(2)Znf(6) Paramagnetic-res Spectrum Hyperfine Parameters Optical-spectrum 3d(n) Ions Epr Field Distortions Resonance Ligand
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32525
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. T. Zhang,L. He,W. Q. Yang,et al. Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystal[J]. Journal of Luminescence,2009,129(11):1371-1374.
APA	D. T. Zhang,L. He,W. Q. Yang,&W. C. Zheng.(2009).Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystal.Journal of Luminescence,129(11),1371-1374.
MLA	D. T. Zhang,et al."Studies of the spin-Hamiltonian parameters, d-d transitions and defect structures for two tetragonal Cu(2+) centers in Ba(2)ZnF(6):Cu(2+) crystal".Journal of Luminescence 129.11(2009):1371-1374.