Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel
文献类型：期刊论文
| 作者 | S. L. Jiang ; T. C. Lu ; Y. Long ; J. Chen |
| 刊名 | Journal of Applied Physics
 |
| 出版日期 | 2012 |
| 卷号 | 111期号:4 |
| 关键词 | transparent mgal2o4 1st-principles al2o3 mgo |
| ISSN号 | 0021-8979 |
| 中文摘要 | The electronic structure and optical properties of MgAl2O4 spinel with and without oxygen vacancies have been studied in the framework of many-body perturbation theory. By considering the self-energy of electrons, we reasonably describe the bandgap of perfect MgAl2O4 and the defect energy levels of MgAl2O4 containing oxygen vacancies. With the inclusion of electron-hole interaction by solving Bethe-Salpeter equation, the calculated dielectric functions and reflectivity spectrum all are in agreement well with the experimental results for perfect MgAl2O4. Our results show that the sharp peak near 7.8 eV in the experimental absorption spectrum is attributed to the excitonic states. The oxygen vacancies produce some new defect energy levels in the forbidden gap. The optical absorption peaks at 5.3 eV, 4.75 eV and 3.2 eV are induced by the V-O(0) and V-O(1+) vacancies. (C) 2012 American Institute of Physics. [doi:10.1063/1.3686727] |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/60023]  |
| 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. L. Jiang,T. C. Lu,Y. Long,et al. Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel[J]. Journal of Applied Physics,2012,111(4). |
| APA | S. L. Jiang,T. C. Lu,Y. Long,&J. Chen.(2012).Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel.Journal of Applied Physics,111(4). |
| MLA | S. L. Jiang,et al."Ab initio many-body study of the electronic and optical properties of MgAl2O4 spinel".Journal of Applied Physics 111.4(2012). |
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。