Theoretical investigations of the EPR parameters and local structure for Cu2+in BeO
文献类型：期刊论文
| 作者 | H. M. Zhang ; S. Y. Wu ; X. F. Wang ; Y. X. Hu ; L. L. Li |
| 刊名 | Radiation Effects and Defects in Solids
 |
| 出版日期 | 2009 |
| 卷号 | 164期号:2页码:118-124 |
| 关键词 | electron paramagnetic resonance defect structures crystal fields and spin Hamiltonians Cu2+ BeO electron-paramagnetic-resonance atomic screening constants beryllium-oxide 3d impurities scf functions crystals luminescence excitation semiconductors spectra |
| ISSN号 | 1042-0150 |
| 中文摘要 | The electron paramagnetic resonance (EPR) parameters (the anisotropic g factors, the hyperfine structure parameters and the quadrupole coupling constant Q) and local structure for Cu2+ in BeO are theoretically investigated from the perturbation formulas of these parameters for a 3d9 ion under trigonally distorted tetrahedra. The ligand orbital and spin-orbit coupling contributions are included in the basis of the cluster approach, in view of the strong covalency of the [CuO4]6- cluster. From the calculations, the impurity Cu2+ is suggested not to occupy exactly the ideal Be2+ site but to suffer a slight inward displacement (0.024) toward the ligand triangle along the C3 axis. The theoretical EPR parameters show 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/321006/32543]  |
| 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 | H. M. Zhang,S. Y. Wu,X. F. Wang,et al. Theoretical investigations of the EPR parameters and local structure for Cu2+in BeO[J]. Radiation Effects and Defects in Solids,2009,164(2):118-124. |
| APA | H. M. Zhang,S. Y. Wu,X. F. Wang,Y. X. Hu,&L. L. Li.(2009).Theoretical investigations of the EPR parameters and local structure for Cu2+in BeO.Radiation Effects and Defects in Solids,164(2),118-124. |
| MLA | H. M. Zhang,et al."Theoretical investigations of the EPR parameters and local structure for Cu2+in BeO".Radiation Effects and Defects in Solids 164.2(2009):118-124. |
入库方式： OAI收割
来源：金属研究所
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