Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO
文献类型：期刊论文
| 作者 | Wu, Shao-Yi1,2; Zhang, Hua-Ming1; Hu, Yue-Xia1; Wang, Xue-Feng1 |
| 刊名 | PHYSICA SCRIPTA
 |
| 出版日期 | 2009-06-01 |
| 卷号 | 79期号:6页码:7 |
| ISSN号 | 0031-8949 |
| DOI | 10.1088/0031-8949/79/06/065702 |
| 通讯作者 | Wu, Shao-Yi(shaoyi_wu@163.com) |
| 英文摘要 | The spin Hamiltonian parameters (the anisotropic g factors, the hyperfine structure constants and the ligand superhyperfine parameters) for the tetragonal Rh2+ centers in MgO and CaO are theoretically studied from the perturbation formulae of these parameters for a 4d(7) ion in tetragonally elongated octahedra. In these formulae, the related molecular orbital coefficients as well as the ligand unpaired spin densities are determined quantitatively from the cluster approach in a uniform way. The above centers are attributed to Rh2+ occupying divalent cation sites in MgO (and CaO), associated with a relative elongation of 0.5% ( and 1.4%) along the [001] (or C-4) axis due to the Jahn-Teller effect. The calculated spin Hamiltonian parameters based on the Jahn-Teller elongations are in good agreement with the observed values. The local structures of the impurity centers are discussed. |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000266639500029 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/96385]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wu, Shao-Yi |
| 作者单位 | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Shao-Yi,Zhang, Hua-Ming,Hu, Yue-Xia,et al. Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO[J]. PHYSICA SCRIPTA,2009,79(6):7. |
| APA | Wu, Shao-Yi,Zhang, Hua-Ming,Hu, Yue-Xia,&Wang, Xue-Feng.(2009).Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO.PHYSICA SCRIPTA,79(6),7. |
| MLA | Wu, Shao-Yi,et al."Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO".PHYSICA SCRIPTA 79.6(2009):7. |
入库方式： OAI收割
来源：金属研究所
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