Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure

IMR OpenIR

	Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure
	C. G. Li; X. Y. Kuang; Y. R. Zhao; R. P. Chai; H. Li
	2011
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 ZnSiF(6)center dot 6H(2)O:Ni(2+) (V(2+)) 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.
部门归属	[li, cheng-gang; kuang, xiao-yu; zhao, ya-ru; chai, rui-peng; li, hui] 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;scu_kuang@163.com
关键词	Atomic Screening Constants Scf Functions Epr-spectra Temperature Crystals Nickel Zno Distortions Dependence Cluster
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30449
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. G. Li,X. Y. Kuang,Y. R. Zhao,et al. Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure[J]. Chemical Physics Letters,2011,512(4-6):263-268.
APA	C. G. Li,X. Y. Kuang,Y. R. Zhao,R. P. Chai,&H. Li.(2011).Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure.Chemical Physics Letters,512(4-6),263-268.
MLA	C. G. Li,et al."Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure".Chemical Physics Letters 512.4-6(2011):263-268.