Investigations of EPR parameters and impurity structure for CO2+ in Ca(OH)(2) crystal

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	Investigations of EPR parameters and impurity structure for CO2+ in Ca(OH)(2) crystal
	S. Y. Wu; W. C. Zheng; H. N. Dong; C. Tang
	2003
发表期刊	Applied Magnetic Resonance
ISSN	0937-9347
卷号	25 期号:2 页码:201-207
摘要	The electron paramagnetic resonance (EPR) parameters (g, and g, factors and hyperfine structure constants A(parallel to) , A(perpendicular to)) for Co2+ in Ca(OH)(2) are studied from the second-order perturbation formulas on the basis of the cluster approach. In these formulas, the contributions to EPR parameters from the state interactions and covalency effects are considered and the parameters related to both effects are obtained from the optical spectra and impurity structure of the studied system. From the study, it is found that the beta angle between the metal-ligand bond and the C-3 axis changes from 61degrees in a pure crystal to 53.68(26)degrees in the impurity center of a Co2+-doped Ca(OH)(2) crystal because of the impurity-induced local lattice relaxation. The reduction of the angle 6 in the impurity center is also supported by the result obtained by analyzing the EPR zero-field splitting for Mn2+ in the same Ca(OH)(2) crystal. The EPR parameters of Ca(OH)(2):Co2+ are also reasonably explained by considering the suitable local lattice relaxation.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang, peoples r china. univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china.;wu, sy (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china
关键词	Superposition Model Analysis Electron-paramagnetic Resonance Atomic Screening Constants Scf Functions Centers
URL	查看原文
WOS记录号	WOS:000188085700001
引用统计	被引频次：3[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/321006/36082
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,W. C. Zheng,H. N. Dong,et al. Investigations of EPR parameters and impurity structure for CO2+ in Ca(OH)(2) crystal[J]. Applied Magnetic Resonance,2003,25(2):201-207.
APA	S. Y. Wu,W. C. Zheng,H. N. Dong,&C. Tang.(2003).Investigations of EPR parameters and impurity structure for CO2+ in Ca(OH)(2) crystal.Applied Magnetic Resonance,25(2),201-207.
MLA	S. Y. Wu,et al."Investigations of EPR parameters and impurity structure for CO2+ in Ca(OH)(2) crystal".Applied Magnetic Resonance 25.2(2003):201-207.