Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl
文献类型：期刊论文
| 作者 | Y. X. Hu ; S. Y. Wu ; X. F. Wang ; P. Xu |
| 刊名 | Pramana-Journal of Physics
 |
| 出版日期 | 2010 |
| 卷号 | 74期号:4页码:643-651 |
| 关键词 | Electron paramagnetic resonance crystal- and ligand-field theory Ir(2+) NaCl transition-metal ions epr spectroscopic investigations atomic screening constants nuclear double-resonance magnetic-resonance superposition model silver-halides spin-resonance scf functions complexes |
| ISSN号 | 0304-4289 |
| 中文摘要 | The electron paramagnetic resonance (EPR) parameters (the g factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir(2+) 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 [IrCl(6)](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 [IrCl(6)](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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31166]  |
| 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 | Y. X. Hu,S. Y. Wu,X. F. Wang,et al. Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl[J]. Pramana-Journal of Physics,2010,74(4):643-651. |
| APA | Y. X. Hu,S. Y. Wu,X. F. Wang,&P. Xu.(2010).Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl.Pramana-Journal of Physics,74(4),643-651. |
| MLA | Y. X. Hu,et al."Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) 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
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。