Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis
文献类型：期刊论文
| 作者 | W. Zhang ; X. R. Chen ; L. C. Cai ; Q. Q. Gou |
| 刊名 | Communications in Theoretical Physics
 |
| 出版日期 | 2008 |
| 卷号 | 50期号:4页码:990-994 |
| 关键词 | semiconductors electronic band structure optical properties density functional theory aluminum nitride wurtzite zincblende gan films inn |
| ISSN号 | 0253-6102 |
| 中文摘要 | Electronic and optical properties of rock-salt AlN under high pressure are investigated by first -principles method based on the plane-wave basis set. Analysis of band structures suggests that the rock-salt AlN has an indirect gap of 4.53 eV, which is in good agreement with other results. By investigating the effects of pressure on the energy gap, the different movement of conduction band at X point below and above 22.5 GPa is predicted. The optical properties including dielectric function, absorption, reflectivity, and refractive index are also calculated and analyzed. It is found that the rock-salt AlN is transparent from the partially ultra-violet to the visible light area and hardly does the transparence affected by the pressure. Furthermore, the curve of optical spectrum will shift to high energy area (blue shift) with increasing pressure. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33338]  |
| 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 | W. Zhang,X. R. Chen,L. C. Cai,et al. Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis[J]. Communications in Theoretical Physics,2008,50(4):990-994. |
| APA | W. Zhang,X. R. Chen,L. C. Cai,&Q. Q. Gou.(2008).Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis.Communications in Theoretical Physics,50(4),990-994. |
| MLA | W. Zhang,et al."Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis".Communications in Theoretical Physics 50.4(2008):990-994. |
入库方式： OAI收割
来源：金属研究所
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