Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh(2+) in rutile
文献类型：期刊论文
| 作者 | S. X. Zhang ; S. Y. Wu ; P. Xu ; L. L. Li |
| 刊名 | Canadian Journal of Physics
 |
| 出版日期 | 2010 |
| 卷号 | 88期号:1页码:49-53 |
| 关键词 | atomic screening constants photoinduced ti3+ center hyperfine interaction superposition model scf functions crystals catalysts spectrum centers srtio3 |
| ISSN号 | 0008-4204 |
| 中文摘要 | The spin Hamiltonian parameters, the g factors g(i) (i = x, y, z) and the hyperfine structure constants A(i), and the local structure for Rh(2+) in rutile (TiO(2)) are theoretically investigated from the perturbation formulas of these parameters for a 4d(7) ion under rhombically elongated octahedra. In view of the covalency, the ligand orbital and spin-orbit coupling contributions are taken into account from the cluster approach. The planar bond angle in the impurity center is found to be 7.5 degrees larger than that of the host Ti(4+) site because of the Jahn-Teller effect via bending of the planar Rh(2+)-O(2-) bonds, leading to much smaller rhombic distortion. The theoretical spin Hamiltonian parameters based on the above Jahn-Teller angular distortion show reasonable agreement with the experimental data. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31723]  |
| 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. X. Zhang,S. Y. Wu,P. Xu,et al. Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh(2+) in rutile[J]. Canadian Journal of Physics,2010,88(1):49-53. |
| APA | S. X. Zhang,S. Y. Wu,P. Xu,&L. L. Li.(2010).Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh(2+) in rutile.Canadian Journal of Physics,88(1),49-53. |
| MLA | S. X. Zhang,et al."Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh(2+) in rutile".Canadian Journal of Physics 88.1(2010):49-53. |
入库方式： OAI收割
来源：金属研究所
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