Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems

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	Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems
	Z. X. Yan; X. Y. Kuang; M. L. Duan; C. G. Li; R. P. Chai
	2010
发表期刊	Molecular Physics
ISSN	0026-8976
卷号	108 期号:14 页码:1899-1906
摘要	The EPR zero-field splitting parameters and structural distortion of Ni2+-doped CsCdX3 (X = Cl, Br) systems have been studied on the basic of 45f x 45 complete energy matrices for a [image omitted] configuration ion in trigonal ligand field, in which the contributions from the spin-orbit coupling coefficients of the central ions and ligands are taken into account simultaneously. It is shown that the local structure exhibits compression distortions for CsCdX3 (X = Cl, Br):Ni2+ systems, and the contribution from the s.o. coupling coefficient of ligands to the covalent effect should not be neglected. Simultaneously, the relationship between the EPR parameter D and the spin-orbit coupling coefficients (, [image omitted]) as well as the average parameter 1([image omitted]) and the divergent parameter 2([image omitted]) have been discussed.
部门归属	[yan, zhan-xin; kuang, xiao-yu; duan, mei-ling; li, cheng-gang; chai, rui-peng] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;kuang985@163.com
关键词	Complete Energy Matrices Double Spin-orbit Coupling Parameter Model Excited-state Luminescence Chloride Lattices Cdse Crystals Mn2++ Ions Field Spectra Ni2++ Coordination Vanadium(Ii) Nickel(Ii)
URL	查看原文
WOS记录号	WOS:000280153100009
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/321006/31628
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. X. Yan,X. Y. Kuang,M. L. Duan,et al. Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems[J]. Molecular Physics,2010,108(14):1899-1906.
APA	Z. X. Yan,X. Y. Kuang,M. L. Duan,C. G. Li,&R. P. Chai.(2010).Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems.Molecular Physics,108(14),1899-1906.
MLA	Z. X. Yan,et al."Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems".Molecular Physics 108.14(2010):1899-1906.