Theoretical study of local structure for Ni(2+) ions at tetragonal sites in K(2)ZnF(4):Ni(2+) system
文献类型：期刊论文
| 作者 | W. Su-Juan ; K. Xiao-Yu ; L. Cheng |
| 刊名 | Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
 |
| 出版日期 | 2008 |
| 卷号 | 71期号:4页码:1317-1320 |
| 关键词 | K(2)ZnF(4):Ni(2+) system EPR parameters Completely energy matrix mn2+ epr fluorides resonance crystal |
| ISSN号 | 1386-1425 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33081]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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