Studies of the spin-Hamiltonian parameters and the defect structure for Cu(2+) at the rhombic Be(2+) site of beryl crystal

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	Studies of the spin-Hamiltonian parameters and the defect structure for Cu(2+) at the rhombic Be(2+) site of beryl crystal
	W. Fang ; W. C. Zheng
刊名	Physica B-Condensed Matter
	2009
卷号	404 期号:14-15 页码:2025-2027
关键词	Electron paramagnetic resonance Crystal- and ligand-field theory Defect structure Cu(2+) Beryl epr impurities ions spectroscopy transition resonance spectrum field iron
ISSN号	0921-4526
中文摘要	The spin-Hamiltonian (SH) parameters (g factors g(i) and hyperfine structure constants A(i), where i = x, y, z) for Cu(2+) at the rhombic Be(2+) site of beryl (Be(3)Al(2)Si(6)O(18)) crystals are calculated from both the perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM). The two methods are based on the cluster approach and so both the contribution to the SH parameters from the spin-orbit coupling parameters of central d(n) ion and that of ligand ion are included. The calculated results from the two theoretical methods are in reasonable agreement with the experimental values, suggesting that both methods are effective for the studies of SH parameters of 3d(9) ion in rhombic symmetry. The defect structural data (which are unlike the corresponding data in the host beryl crystal) of the rhombic Cu(2+) center in beryl are also acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved.
原文出处	://WOS:000267408000033
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31891]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Fang,W. C. Zheng. Studies of the spin-Hamiltonian parameters and the defect structure for Cu(2+) at the rhombic Be(2+) site of beryl crystal[J]. Physica B-Condensed Matter,2009,404(14-15):2025-2027.
APA	W. Fang,&W. C. Zheng.(2009).Studies of the spin-Hamiltonian parameters and the defect structure for Cu(2+) at the rhombic Be(2+) site of beryl crystal.Physica B-Condensed Matter,404(14-15),2025-2027.
MLA	W. Fang,et al."Studies of the spin-Hamiltonian parameters and the defect structure for Cu(2+) at the rhombic Be(2+) site of beryl crystal".Physica B-Condensed Matter 404.14-15(2009):2025-2027.