Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal

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	Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal
	W. C. Zheng; L. He; Y. Mei; W. Q. Yang
	2010
发表期刊	Molecular Physics
ISSN	0026-8976
卷号	108 期号:12 页码:1583-1588
摘要	The g factors g// and g perpendicular to of the ground 6(2T2) and excited 4,5(2E), 6(2E) states for trigonal Cu2+ centres in ZnO crystals are calculated from three theoretical methods, the complete diagonalization (of the energy matrix) method, the second-order perturbation method (PTM-I) and the simplified second-order perturbation method (PTM-II, this method was described in an earlier paper). These methods are based on the cluster approach in which the spin-orbit coupling parameters , ' and the orbital reduction factors k, k' are calculated from a semi-empirical molecular orbital method. The crystal-field parameters used in the calculations are obtained from the superposition model and so the defect structure of Cu2+ centres in ZnO can be acquired. The calculated g factors from the three methods are in reasonable agreement with the experimental values and the defect structure of Cu2+ centres in ZnO is acquired. It appears that in some cases the approximate PTM can be applied in the studies of g factors of various states. The conditions that the PTM are ineffective are discussed.
部门归属	[zheng, wen-chen; mei, yang; yang, wei-qing] 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. [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, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwcl@163.com
关键词	Zeeman Effect Crystal-field Theory Optical Spectroscopy Electron Paramagnetic Resonance Zno:Cu2++ Spin-hamiltonian Parameters Atomic Screening Constants Superposition Model Scf Functions Ions Copper Impurities Resonance Sites Field
URL	查看原文
WOS记录号	WOS:000279619200004
引用统计	被引频次：1[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/321006/31761
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,L. He,Y. Mei,et al. Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal[J]. Molecular Physics,2010,108(12):1583-1588.
APA	W. C. Zheng,L. He,Y. Mei,&W. Q. Yang.(2010).Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal.Molecular Physics,108(12),1583-1588.
MLA	W. C. Zheng,et al."Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal".Molecular Physics 108.12(2010):1583-1588.