Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4
文献类型：期刊论文
| 作者 | M. L. Duan ; X. Y. Kuang ; J. H. Li ; Z. Y. Jiao ; Y. Xiong |
| 刊名 | Chemical Physics
 |
| 出版日期 | 2007 |
| 卷号 | 334期号:1-3页码:175-179 |
| 关键词 | local structure complete energy matrix EPR parameters fe-3+ centers resonance epr crystals spectroscopy fluorides spectra complex pbtio3 ions |
| ISSN号 | 0301-0104 |
| 中文摘要 | The electron paramagnetic resonance spectra of layered perovskite Rb2ZnF4 and Rb2CdF4 doped with Fe3+ are studied by means of a 252 x 252 complete energy matrix for a 3d(5) configuration ion in a tetragonal ligand-field. The local structure parameters R-perpendicular to and R-parallel to for Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems are determined. The calculations show that the local lattice of the Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems display a compression distortion relative to the regular octahedron. Besides, the value of R-perpendicular to in Rb2ZnF4 and Rb2CdF4 crystals is, respectively, larger than that in Rb2ZnF4:Fe3+ and Rb2CdF4:Fe3+ systems. This may be ascribed to the fact that Fe3+ ions have the smaller ionic radius and larger charge in comparison to Zn2+ and Cd2+ ions. In the end, the relative curves of 10(4)b(2)(0), vs. Delta R (Delta R = R-perpendicular to - R-parallel to) for these two systems are plotted which satisfy an approximately linear relation. (c) 2007 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33513]  |
| 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 structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4[J]. Chemical Physics,2007,334(1-3):175-179. |
| APA | M. L. Duan,X. Y. Kuang,J. H. Li,Z. Y. Jiao,&Y. Xiong.(2007).Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4.Chemical Physics,334(1-3),175-179. |
| MLA | M. L. Duan,et al."Theoretical study of local structure of tetragonal Fe3+ center in layered perovskite Rb2ZnF4 and Rb2CdF4".Chemical Physics 334.1-3(2007):175-179. |
入库方式： OAI收割
来源：金属研究所
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