High-order perturbation formulas of the zero-field splitting for 3d(5) ion in tetragonal symmetry
文献类型：期刊论文
| 作者 | S. Y. Wu ; W. C. Zheng |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2001 |
| 卷号 | 296期号:4页码:351-355 |
| 关键词 | electron paramagnetic resonance crystal- and ligand-field theory spin-lattice coupling coefficient defect structure Mn2+ MgO SrTiO3 superposition model local geometry crystal centers impurities spectrum epr |
| ISSN号 | 0921-4526 |
| 中文摘要 | The third- and fourth-order perturbation formulas based on the dominant spin-orbit coupling mechanism for the zero-field splitting D of 3d(5) ion in tetragonal symmetry have been established from the strong-field scheme. From the formulas, the spin-lattice coupling coefficient G(11) (which is related to the zero-field splitting D due to the slight tetragonal distortion under stress) of MgO:Mn2+ and the zero-field splitting D of the tetragonal Mn2+ -V-O center in SrTiO3 are calculated. The results suggest that in the cases of 3d(5) clusters with small tetragonal distortion, the lowest (third)-order perturbation formula is applicable; however, in the cases of large tetragonal distortion, the higher (fourth)-order contribution is comparable with the third-order one and should be taken into account. The displacement of Mn2+ in the Mn2+ -V-O center and hence the microstructures of this centre in SrTiO3 are also obtained. The relaxation pattern is consistent with that of the isoelectronic Fe3+-V-O center in KNbO3 crystal obtained from both the shell-model simulations and the embedded-cluster calculations. (C) 2001 Elsevier Science B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36843]  |
| 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 | S. Y. Wu,W. C. Zheng. High-order perturbation formulas of the zero-field splitting for 3d(5) ion in tetragonal symmetry[J]. Physica B-Condensed Matter,2001,296(4):351-355. |
| APA | S. Y. Wu,&W. C. Zheng.(2001).High-order perturbation formulas of the zero-field splitting for 3d(5) ion in tetragonal symmetry.Physica B-Condensed Matter,296(4),351-355. |
| MLA | S. Y. Wu,et al."High-order perturbation formulas of the zero-field splitting for 3d(5) ion in tetragonal symmetry".Physica B-Condensed Matter 296.4(2001):351-355. |
入库方式： OAI收割
来源：金属研究所
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