Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied
文献类型：期刊论文
| 作者 | H. F. Li ; X. Y. Kuang ; H. Q. Wang |
| 刊名 | Molecular Physics
 |
| 出版日期 | 2008 |
| 卷号 | 106期号:15页码:1879-1885 |
| 关键词 | three models EPR and optical spectra local lattice structure distortion Al(2)O(3):V(3+) system vanadium corundum optical spectra energy-levels fe3+ ions field al2o3 fe-3+ cr3+ spin |
| ISSN号 | 0026-8976 |
| 中文摘要 | This paper reports on the application of conventional models (the displacement model and the elongation model) and the four-parameter model in detecting the local molecular structure of a coordination complex. By diagonalizing the complete energy matrices, the EPR parameters and optical spectra as well as the local distortion structure for V(3+) ion in the Al(2)O(3) : V(3+) system have been studied using the three models. The four-parameter model is shown to provide a significant improvement over the conventional models. Based on these calculations, it was found that when V(3+) is doped in Al(2)O(3), the distance between upper and lower ligand oxygen plane increases by 0.16097 angstrom and the shifts of O(2)-ions in the upper and lower ligand oxygen planes expand by 0.07076 angstrom and 0.004066 angstrom, respectively. To understand the detailed physical and chemical properties of the doped Al(2)O(3), the contributions of the spin-orbit coupling to the zero-field splitting for V(3+) ion are investigated. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32864]  |
| 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. F. Li,X. Y. Kuang,H. Q. Wang. Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied[J]. Molecular Physics,2008,106(15):1879-1885. |
| APA | H. F. Li,X. Y. Kuang,&H. Q. Wang.(2008).Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied.Molecular Physics,106(15),1879-1885. |
| MLA | H. F. Li,et al."Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied".Molecular Physics 106.15(2008):1879-1885. |
入库方式： OAI收割
来源：金属研究所
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