Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system

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	Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system
	W. Su-Juan; K. Xiao-Yu; L. Cheng
	2008
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	71 期号:4 页码:1317-1320
摘要	A theoretical method for studying the local lattice structure of Ni(2+) ions in (NiF(G))(4-) coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 x 45 complete energy matrices for d(8) (d(2)) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters (R(perpendicular to) and R(parallel to)) of Ni(2+) ions in K(2)ZnF(4):Ni(2+), system have been investigated. The theoretical results are accorded well with the experimental values. Moreover. to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K(2)ZnF(4):Ni(2+) system at 78 and 290 K are reported first. (C) 2008 Elsevier B.V. All rights reserved.
部门归属	[su-juan, wang; xiao-yu, kuang; cheng, lu] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [xiao-yu, kuang] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
关键词	k(2)Znf(4):Ni(2+) System Epr Parameters Completely Energy Matrix Mn2++ Epr Fluorides Resonance Crystal
URL	查看原文
WOS记录号	WOS:000261249100025
引用统计	被引频次：2[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/321006/33081
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Su-Juan,K. Xiao-Yu,L. Cheng. Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2008,71(4):1317-1320.
APA	W. Su-Juan,K. Xiao-Yu,&L. Cheng.(2008).Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,71(4),1317-1320.
MLA	W. Su-Juan,et al."Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 71.4(2008):1317-1320.