Local lattice structure of Mn(2+) ions in (MnO(6))(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field

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	Local lattice structure of Mn(2+) ions in (MnO(6))(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field
	L. Cheng; K. X. Yu; Z. K. Wei
	2008
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 Mn(2+) ions in (MnO(6))(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 Mn(2+) ions in A(C(11)H(12)ON(2))(6)(ClO(4))(2):Mn(2+) (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.
部门归属	[cheng, lu; yu, kuang xiao] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [wei, zhou kang] sichuan univ, dept phys, chengdu 610065, peoples r china. [wei, zhou kang] ccast, world lab, beijing 100080, peoples r china. [yu, kuang xiao; wei, zhou kang] acad sci, int ctr mat phys, shenyang 110016, peoples r china.;yu, kx (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;palc@163.com
关键词	Ligand Field Model Local Structure (Mno(6))(10-) Coordination Complex Hexa-antipyrine Perchlorate Optical-absorption Magnetic-properties Resonance Spectra Epr Crystals Transitions Alpha-fe2o3 Oxides Iron
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32689
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Cheng,K. X. Yu,Z. K. Wei. Local lattice structure of Mn(2+) ions in (MnO(6))(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	L. Cheng,K. X. Yu,&Z. K. Wei.(2008).Local lattice structure of Mn(2+) ions in (MnO(6))(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field.Materials Chemistry and Physics,112(2),690-695.
MLA	L. Cheng,et al."Local lattice structure of Mn(2+) ions in (MnO(6))(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field".Materials Chemistry and Physics 112.2(2008):690-695.