Local lattice structure of Mn2+ ions in (MnO6)(10-) coordination complex: Complete diagonalization of d(5) ions in a trigonal ligand field
文献类型：期刊论文
| 作者 | Cheng, Lu1; Yu, Kuang Xiao1,4; Wei, Zhou Kang2,3,4 |
| 刊名 | MATERIALS CHEMISTRY AND PHYSICS
 |
| 出版日期 | 2008-12-01 |
| 卷号 | 112期号:2页码:690-695 |
| 关键词 | Ligand field model Local structure (MnO6)(10-) coordination complex |
| ISSN号 | 0254-0584 |
| DOI | 10.1016/j.matchemphys.2008.05.102 |
| 通讯作者 | Yu, Kuang Xiao(palc@163.com) |
| 英文摘要 | 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. |
| 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 |
| 语种 | 英语 |
| WOS记录号 | WOS:000261022200070 |
| 出版者 | ELSEVIER SCIENCE SA |
| 资助机构 | National Natural Science Foundation ; Doctoral Education Fund of Education Ministry |
| 源URL | [http://ir.imr.ac.cn/handle/321006/93615]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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