Theoretical study of local lattice structure of Mn2+ in perovskite fluorides A(2)MF(4) (A = K, Rb; M = Mg, Zn, Cd) series
文献类型：期刊论文
| 作者 | M. L. Duan ; X. Y. Kuang ; J. H. Li ; Z. Y. Jiao |
| 刊名 | Journal of Physics and Chemistry of Solids
 |
| 出版日期 | 2007 |
| 卷号 | 68期号:2页码:299-304 |
| 关键词 | crystal fields crystal structure electronic structure zero-field splittings crystals ions spectroscopy luminescence resonance epr |
| ISSN号 | 0022-3697 |
| 中文摘要 | A theoretical method for investigating the inter-relation between the molecular structure and electronic structure has been established on the basis of the 252 x 252 complete energy matrices for a 3d(5) configuration ion in a tetragonal ligand field. By means of this method, which is independent of the X-ray diffraction, the local structure of the paramagnetic Mn2+ ion in perovskite fluorides A(2)MF(4) (A = K, Rb; M = Zn, Me. Cd) are determined directly by analyzing the EPR spectrum of octahedral Mn2+ center in A(2)MF(4) crystals and the optical absorption spectrum of the (MnF6)(4-) cluster. It is shown that, comparing with the octahedral cubic structure, the local microstructure in the vicinity of Mn2+ displays an elongated distortion when b(2)(0) > 0 and a compressed distortion when b(2)(0) < 0, and Delta R vs. 10(4)b(2)(0) as well as Delta R vs. 10(4)b(4)(0) in the distortion region is, respectively, approximately linear. Simultaneously, the theoretical zero-field-splitting parameters b(2)(0), b(4)(0) and b(4)(4) are in good agreement with the experimental values. (c) 2006 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33512]  |
| 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 | M. L. Duan,X. Y. Kuang,J. H. Li,et al. Theoretical study of local lattice structure of Mn2+ in perovskite fluorides A(2)MF(4) (A = K, Rb; M = Mg, Zn, Cd) series[J]. Journal of Physics and Chemistry of Solids,2007,68(2):299-304. |
| APA | M. L. Duan,X. Y. Kuang,J. H. Li,&Z. Y. Jiao.(2007).Theoretical study of local lattice structure of Mn2+ in perovskite fluorides A(2)MF(4) (A = K, Rb; M = Mg, Zn, Cd) series.Journal of Physics and Chemistry of Solids,68(2),299-304. |
| MLA | M. L. Duan,et al."Theoretical study of local lattice structure of Mn2+ in perovskite fluorides A(2)MF(4) (A = K, Rb; M = Mg, Zn, Cd) series".Journal of Physics and Chemistry of Solids 68.2(2007):299-304. |
入库方式： OAI收割
来源：金属研究所
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