Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl
文献类型：期刊论文
| 作者 | Hu, Y. -X.2; Wu, S. -Y.1,2; Wang, X. -F.2; Xu, P.2 |
| 刊名 | PRAMANA-JOURNAL OF PHYSICS
 |
| 出版日期 | 2010-04-01 |
| 卷号 | 74期号:4页码:643-651 |
| 关键词 | Electron paramagnetic resonance crystal- and ligand-field theory Ir2+ NaCl |
| ISSN号 | 0304-4289 |
| DOI | 10.1007/s12043-010-0056-1 |
| 通讯作者 | Wu, S. -Y.(shaoyi_wu@163.com) |
| 英文摘要 | The electron paramagnetic resonance (EPR) parameters (the g factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d(7) ion in tetragonally elongated octahedra. This impurity centre is attributed to the substitutional [IrCl6](4-) cluster on host Na+ site, associated with the 4% relative elongation along the C (4)-axis due to the Jahn-Teller effect. Despite the ionicity of host NaCl, the [IrCl6](4-) cluster still exhibits moderate covalency and then the ligand orbital and spin-orbit coupling contributions should be taken into account. In addition, the theoretical EPR parameters based on the Jahn-Teller elongation show good agreement with the observed values. |
| 资助项目 | Program for Academic Excellence of UESTC |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000277147200012 |
| 出版者 | INDIAN ACAD SCIENCES |
| 资助机构 | Program for Academic Excellence of UESTC |
| 源URL | [http://ir.imr.ac.cn/handle/321006/118263]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wu, S. -Y. |
| 作者单位 | 1.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 2.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hu, Y. -X.,Wu, S. -Y.,Wang, X. -F.,et al. Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl[J]. PRAMANA-JOURNAL OF PHYSICS,2010,74(4):643-651. |
| APA | Hu, Y. -X.,Wu, S. -Y.,Wang, X. -F.,&Xu, P..(2010).Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl.PRAMANA-JOURNAL OF PHYSICS,74(4),643-651. |
| MLA | Hu, Y. -X.,et al."Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir2+ centre in NaCl".PRAMANA-JOURNAL OF PHYSICS 74.4(2010):643-651. |
入库方式： OAI收割
来源：金属研究所
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