Theoretical study of local lattice structure of Fe3+-V-cd and Fe3+-Li+ systems in RbCdF3 and CsCdF3 crystals
文献类型：期刊论文
| 作者 | J. H. Li ; X. Y. Kuang ; M. L. Duan ; Z. Y. Jiao |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2007 |
| 卷号 | 141期号:5页码:279-283 |
| 关键词 | crystal structure and symmetry crystal and ligand fields EPR electron-paramagnetic-resonance oxide crystals epr-spectra centers ions spectroscopy field mn2 phase mgo |
| ISSN号 | 0038-1098 |
| 中文摘要 | A theoretical method for investigating the inter-relation between the electronic and the molecular structures of a 3d(5) ion in a tetragonal ligand-field has been established on the basis of a 252 x 252 complete energy matrix. By means of this method, the local structure of the Fe3+-V-cd and Fe3+-Li+ systems in RbCdF3:Fe3+ and CsCdF3:Fe3+ crystals are determined by the experimental EPR spectrum. Our calculation show that the local lattice structure around an octahedral Fe3+ center has a compression distortion along the crystalline axis in RbCdF3 as well as in CsCdF3 crystals, and that the compression magnitude of a tetragonal Fe3+-Li+ system is larger than that of the Fe3+-V-cd system. This may be ascribed to the fact that a Fe3+ ion replaces a Cd2+ ion and a Li+ ion substitutes for another Cd2+ ion next to the Fe3+ ion in the Fe3+-Li+ system, and the Li+ ion will shift to the Fe3+ ion, which pushes the F-1 ion toward the Fe3+ ion. Using this method, the experimental EPR parameters b(2)(o), b(4)(o) and b(4)(4) are also interpreted simultaneously. (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/321006/33639]  |
| 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 | J. H. Li,X. Y. Kuang,M. L. Duan,et al. Theoretical study of local lattice structure of Fe3+-V-cd and Fe3+-Li+ systems in RbCdF3 and CsCdF3 crystals[J]. Solid State Communications,2007,141(5):279-283. |
| APA | J. H. Li,X. Y. Kuang,M. L. Duan,&Z. Y. Jiao.(2007).Theoretical study of local lattice structure of Fe3+-V-cd and Fe3+-Li+ systems in RbCdF3 and CsCdF3 crystals.Solid State Communications,141(5),279-283. |
| MLA | J. H. Li,et al."Theoretical study of local lattice structure of Fe3+-V-cd and Fe3+-Li+ systems in RbCdF3 and CsCdF3 crystals".Solid State Communications 141.5(2007):279-283. |
入库方式： OAI收割
来源：金属研究所
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