Theoretical study of anisotropy spin-orbit coupling and local lattice structure for Fe3+ ions in MgTiO3 : Fe3+ system
文献类型：期刊论文
| 作者 | H. Wang ; X. Y. Kuang ; X. F. Huang ; D. Die ; X. Yang |
| 刊名 | European Physical Journal B
 |
| 出版日期 | 2005 |
| 卷号 | 48期号:4页码:483-488 |
| 关键词 | 3d(5) ions crystal field displacement parameters spectra sites esr epr |
| ISSN号 | 1434-6028 |
| 中文摘要 | The anisotropy spin-orbit coupling matrices for a d(5) configuration ion in a trigonal ligand-field have been established. On basis of the anisotropy spin-orbit coupling matrices, the ground state zero-field splitting of the Fe3+ ions in ilmenite-structure MgTiO3:Fe3+ system has been studied. The calculated results show that the anisotropy of Fe3+ ions in the diamagnetic ilmenite MgTiO3 is important and the EPR parameters depend sensitively on the anisotropy divergent parameter. Moreover, the effect of the anisotropy divergent parameter on the second-order parameter D is obviously larger than that on the fourth-order parameter (a-F). Based on this point, the local lattice structure of Fe3+ ion in MgTiO3:Fe3+ system is determined by diagonalizing the complete energy matrices for a d(5) configuration ion in a trigonal ligand-field and considering the second-order as well as the fourth-order EPR parameters D and (a-F) simultaneously. Our results are consistent with the experimental proposal that Fe3+ ions may locate at both the Mg2+ and Ti4+ Sites. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35069]  |
| 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 | H. Wang,X. Y. Kuang,X. F. Huang,et al. Theoretical study of anisotropy spin-orbit coupling and local lattice structure for Fe3+ ions in MgTiO3 : Fe3+ system[J]. European Physical Journal B,2005,48(4):483-488. |
| APA | H. Wang,X. Y. Kuang,X. F. Huang,D. Die,&X. Yang.(2005).Theoretical study of anisotropy spin-orbit coupling and local lattice structure for Fe3+ ions in MgTiO3 : Fe3+ system.European Physical Journal B,48(4),483-488. |
| MLA | H. Wang,et al."Theoretical study of anisotropy spin-orbit coupling and local lattice structure for Fe3+ ions in MgTiO3 : Fe3+ system".European Physical Journal B 48.4(2005):483-488. |
入库方式： OAI收割
来源：金属研究所
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