Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix
文献类型：期刊论文
| 作者 | S. Y. Wu ; L. H. Wei ; H. N. Dong ; Y. X. Hu ; X. F. Wang |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 477期号:1-2页码:40-44 |
| 关键词 | Inorganic materials Crystal and ligand fields Point defects Electron paramagnetic resonance electron-paramagnetic-resonance atomic screening constants photoinduced ti3+ center chromium oxides 3d impurities scf functions sio2 glass ions semiconductors luminescence |
| ISSN号 | 0925-8388 |
| 中文摘要 | The g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in the silica glass matrix are theoretically studied from the perturbation formulas of the g factors for a 3d(1) ion in orthorhombically distorted tetrahedra. From the calculations, the impurity-ligand bond angle (polar angle) related to [0 0 1] axis in the impurity center is about 0.25 degrees smaller than that (approximate to 54.74 degrees) of regular tetrahedra, and the Azimuthal angle related to [1 0 0] axis shows a slight deviation by about 0.28 degrees. The local structure of this center can be described as an elongated oxygen tetrahedron associated with tiny orthorhombic distortion due to the Jahn-Teller effect. The theoretical g factors and the optical transitions based on the above local structure are in good agreement with the experimental data. Moreover, the previous assignments of the electron paramagnetic resonance (EPR) spectra and the optical transitions based on tetragonal (D(2d)) approximation are also improved by considering the slight orthorhombic distortion. (C) 2008 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32430]  |
| 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,L. H. Wei,H. N. Dong,et al. Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix[J]. Journal of Alloys and Compounds,2009,477(1-2):40-44. |
| APA | S. Y. Wu,L. H. Wei,H. N. Dong,Y. X. Hu,&X. F. Wang.(2009).Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix.Journal of Alloys and Compounds,477(1-2),40-44. |
| MLA | S. Y. Wu,et al."Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix".Journal of Alloys and Compounds 477.1-2(2009):40-44. |
入库方式： OAI收割
来源：金属研究所
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