Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal

doi:10.1016/j.physb.2009.03.039

IMR OpenIR

	Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal
	Fang Wang 1; Zheng Wen-Chen 2,3
通讯作者	Fang Wang(mailfangwang@163.com)
	2009-07-01
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 Cu2+ at the rhombic Be2+ site of beryl (Be3Al2Si6O18) 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 Cu2+ center in beryl are also acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved.
关键词	Electron paramagnetic resonance Crystal- and ligand-field theory Defect structure Cu2+ Beryl
DOI	10.1016/j.physb.2009.03.039
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000267408000033
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：5[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/321006/99377
专题	中国科学院金属研究所
通讯作者	Fang Wang
作者单位	1.Chongqing Univ Sci & Technol, Dept Math & Phys, Chongqing 401331, Peoples R China 2.Sichuan Univ, Dept Mat Sci, Chengdu 610064, 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	Fang Wang,Zheng Wen-Chen. Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal[J]. PHYSICA B-CONDENSED MATTER,2009,404(14-15):2025-2027.
APA	Fang Wang,&Zheng Wen-Chen.(2009).Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal.PHYSICA B-CONDENSED MATTER,404(14-15),2025-2027.
MLA	Fang Wang,et al."Studies of the spin-Hamiltonian parameters and the defect structure for Cu2+ at the rhombic Be2+ site of beryl crystal".PHYSICA B-CONDENSED MATTER 404.14-15(2009):2025-2027.