Investigation of the local structure and ZFS parameter for Ni2+ (V2+) ions in Zinc Fluosilicate at different pressure

doi:10.1016/j.cplett.2011.07.031

IMR OpenIR

	Investigation of the local structure and ZFS parameter for Ni2+ (V2+) ions in Zinc Fluosilicate at different pressure
	Li, Cheng-Gang 1; Kuang, Xiao-Yu 1,2; Zhao, Ya-Ru 1; Chai, Rui-Peng 1; Li, Hui 1
通讯作者	Kuang, Xiao-Yu(scu_kuang@163.com)
	2011-08-25
发表期刊	CHEMICAL PHYSICS LETTERS
ISSN	0009-2614
卷号	512 期号:4-6 页码:263-268
摘要	Based on the complete energy matrix approach, the local structure and zero field splitting (ZFS) parameter for ZnSiF6 center dot 6H(2)O:Ni2+ (V2+) systems are theoretically studied for 3d(n) (n = 3, 8) ions in trigonal symmetry at different pressure. In this approach, the contributions from the admixture of d orbitals of the central ions with the p orbitals of the ligands are considered. In addition, the relationships between the ZFS parameter D and the pressure P as well as the local structure parameter theta are discussed. The effects of the average parameter zeta(1) and the different parameter zeta(2) on the ZFS parameter D are analyzed. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.
资助者	National Natural Science Foundation of China
DOI	10.1016/j.cplett.2011.07.031
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10774103] ; National Natural Science Foundation of China[10974138]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000293883900027
出版者	ELSEVIER SCIENCE BV
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/321006/104102
专题	中国科学院金属研究所
通讯作者	Kuang, Xiao-Yu
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li, Cheng-Gang,Kuang, Xiao-Yu,Zhao, Ya-Ru,et al. Investigation of the local structure and ZFS parameter for Ni2+ (V2+) ions in Zinc Fluosilicate at different pressure[J]. CHEMICAL PHYSICS LETTERS,2011,512(4-6):263-268.
APA	Li, Cheng-Gang,Kuang, Xiao-Yu,Zhao, Ya-Ru,Chai, Rui-Peng,&Li, Hui.(2011).Investigation of the local structure and ZFS parameter for Ni2+ (V2+) ions in Zinc Fluosilicate at different pressure.CHEMICAL PHYSICS LETTERS,512(4-6),263-268.
MLA	Li, Cheng-Gang,et al."Investigation of the local structure and ZFS parameter for Ni2+ (V2+) ions in Zinc Fluosilicate at different pressure".CHEMICAL PHYSICS LETTERS 512.4-6(2011):263-268.