Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS
文献类型：期刊论文
| 作者 | S. Y. Wu ; H. M. Zhang ; H. N. Dong ; X. F. Wang ; Y. X. Hu |
| 刊名 | Physics and Chemistry of Minerals
 |
| 出版日期 | 2009 |
| 卷号 | 36期号:9页码:483-487 |
| 关键词 | Electron paramagnetic resonance Defect structures Crystal-fields and spin Hamiltonians Cu(2+) Ni(+) CdS electron-paramagnetic-resonance atomic screening constants defect structures crystal-field 3d impurities scf functions semiconductors parameters epr spectra |
| ISSN号 | 0342-1791 |
| 中文摘要 | The local structures and the g factors g (//) and g (aSyen) for the isoelectronic 3d(9) ions Cu(2+) and Ni(+) in CdS are theoretically investigated from the perturbation formulas of these parameters for a 3d(9) ion under trigonally distorted tetrahedral environments. In consideration of significant covalency of the [MS(4)] combinations (M = Cu and Ni), the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. Based on the studies, the substitutional impurity Cu(2+) (or Ni(+)) on Cd(2+) site is found to undergo a small inward displacement 0.026 (or a slight outward shift 0.017 ) towards (or away from) the ligand triangle along C (3) axis. The theoretical g factors for both ions based on the above impurity displacements are in good agreement with the experimental data. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32432]  |
| 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,H. M. Zhang,H. N. Dong,et al. Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS[J]. Physics and Chemistry of Minerals,2009,36(9):483-487. |
| APA | S. Y. Wu,H. M. Zhang,H. N. Dong,X. F. Wang,&Y. X. Hu.(2009).Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS.Physics and Chemistry of Minerals,36(9),483-487. |
| MLA | S. Y. Wu,et al."Theoretical investigations of the local structures and the g factors for 3d(9) ions in CdS".Physics and Chemistry of Minerals 36.9(2009):483-487. |
入库方式： OAI收割
来源：金属研究所
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