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

IMR OpenIR

	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
	2009
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	404 期号:14-15 页码:2025-2027
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.
部门归属	[fang wang] chongqing univ sci & technol, dept math & phys, chongqing 401331, peoples r china. [zheng wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng wen-chen] 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, peoples r china;mailfangwang@163.com
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
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31891
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. 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.