Theoretical study of the local lattice distortion at the trigonal Cr3+ center in BiI3
文献类型：期刊论文
| 作者 | S. Y. Wu ; X. Y. Gao ; H. N. Dong |
| 刊名 | Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
 |
| 出版日期 | 2006 |
| 卷号 | 61期号:1-2页码:78-82 |
| 关键词 | electron paramagnetic resonance crystal- and ligand-field theory Cr3+ BiI3 electron-paramagnetic-resonance atomic screening constants indirect band bottom secondary-emission scf functions crystals excitons ions recombination parameters |
| ISSN号 | 0932-0784 |
| 中文摘要 | The local lattice distortion at the trigonal Cr3+ center in BiI3 is theoretically studied by the perturbation formulas of the EPR parameters 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 often ignored, are taken into account. It is found that the local angle beta (between the direction of the impurity-ligand bonding R and the C-3 axis) in the impurity center is smaller than the host angle beta(H) in the pure crystal. The Calculated EPR parameters are improved compared to those in absence of the ligand s-orbital contributions. The local lattice distortion obtained in this work is discussed. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34579]  |
| 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. Theoretical study of the local lattice distortion at the trigonal Cr3+ center in BiI3[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2006,61(1-2):78-82. |
| APA | S. Y. Wu,X. Y. Gao,&H. N. Dong.(2006).Theoretical study of the local lattice distortion at the trigonal Cr3+ center in BiI3.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,61(1-2),78-82. |
| MLA | S. Y. Wu,et al."Theoretical study of the local lattice distortion at the trigonal Cr3+ center in BiI3".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 61.1-2(2006):78-82. |
入库方式： OAI收割
来源：金属研究所
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