Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field

doi:10.1016/j.matchemphys.2008.05.102

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	Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field
	Cheng, Lu 1; Yu, Kuang Xiao 1,4; Wei, Zhou Kang 2,3,4
通讯作者	Yu, Kuang Xiao(palc@163.com)
	2008-12-01
发表期刊	MATERIALS CHEMISTRY AND PHYSICS
ISSN	0254-0584
卷号	112 期号:2 页码:690-695
摘要	A detailed theoretical method for studying the local lattice structure of Mn2+ ions in (MnO6)(10-) 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 252 x 252 complete energy matrices for d(5) configuration ions in a trigonal ligand field are constructed. By diagonalizing the complete energy matrices, the local structure distortion of Mn2+ ions in A(C11H12ON2)(6)(ClO4)(2):Mn2+ (A = Ca, Cd, Mg, Co, Pb) systems have been investigated. It is found that the theoretical results are in good agreement with the experimental values. (C) 2008 Elsevier B.V. All rights reserved.
关键词	Ligand field model Local structure (MnO6)(10-) coordination complex
资助者	National Natural Science Foundation ; Doctoral Education Fund of Education Ministry
DOI	10.1016/j.matchemphys.2008.05.102
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation[10774103] ; National Natural Science Foundation[10374068] ; Doctoral Education Fund of Education Ministry[20050610011]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000261022200070
出版者	ELSEVIER SCIENCE SA
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/93616
专题	中国科学院金属研究所
通讯作者	Yu, Kuang Xiao
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Sichuan Univ, Dept Phys, Chengdu 610065, Peoples R China 3.CCAST, World Lab, Beijing 100080, Peoples R China 4.Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Cheng, Lu,Yu, Kuang Xiao,Wei, Zhou Kang. Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field[J]. MATERIALS CHEMISTRY AND PHYSICS,2008,112(2):690-695.
APA	Cheng, Lu,Yu, Kuang Xiao,&Wei, Zhou Kang.(2008).Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field.MATERIALS CHEMISTRY AND PHYSICS,112(2),690-695.
MLA	Cheng, Lu,et al."Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field".MATERIALS CHEMISTRY AND PHYSICS 112.2(2008):690-695.