Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)
文献类型：期刊论文
| 作者 | S. Y. Wu ; X. Y. Gao ; H. N. Dong |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2006 |
| 卷号 | 301期号:1页码:67-73 |
| 关键词 | electron paramagnetic resonance (EPR) CSMgX3 (X = Cl defect structure Br crystal- and I) ligand-fields V2+ atomic screening constants superposition model scf functions cr3+ ions csmgcl3 crystals epr pairs absorption parameters |
| ISSN号 | 0304-8853 |
| 中文摘要 | The local structures for V2+ in CsMgX3 (X = Cl, Br, I) are theoretically investigated from the perturbation formulas of the EPR parameters (zero-field splitting, g factors and the hyperfine structure constants) for a 3d(3) ion in trigonal symmetry based on the cluster approach. In these formulas, the contributions from the s-orbitals of the ligands, which were usually neglected in the previous treatments, are considered here. Based on the Studies, we find that the local angles beta (between the impurity-ligand bonding lengths and the C-3 axis) in the V2+ centers are larger than the angles beta(H) in the hosts, leading to the positive angular distortions Delta beta (= beta - beta(H)). The theoretical EPR parameters (particularly the results for CsMgI3) show improvement compared with those in absence of the ligand s-orbital contributions or the above angular distortions. (c) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34576]  |
| 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,X. Y. Gao,H. N. Dong. Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)[J]. Journal of Magnetism and Magnetic Materials,2006,301(1):67-73. |
| APA | S. Y. Wu,X. Y. Gao,&H. N. Dong.(2006).Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I).Journal of Magnetism and Magnetic Materials,301(1),67-73. |
| MLA | S. Y. Wu,et al."Investigations on the angular distortions around V2+ in CSMgX3 (X = Cl, Br, I)".Journal of Magnetism and Magnetic Materials 301.1(2006):67-73. |
入库方式： OAI收割
来源：金属研究所
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