1ST-PRINCIPLES CALCULATIONS FOR QUASI-PARTICLE ENERGIES OF GAP AND GAAS
文献类型：期刊论文
| 作者 | WANG JQ ; GU ZQ ; LI MF |
| 刊名 | physical review b
 |
| 出版日期 | 1991 |
| 卷号 | 44期号:16页码:8707-8712 |
| 关键词 | EXCHANGE-CORRELATION POTENTIALS DENSITY-FUNCTIONAL THEORY ZINCBLENDE SEMICONDUCTORS STRUCTURAL-PROPERTIES ELECTRON SILICON PSEUDOPOTENTIALS DISCONTINUITY APPROXIMATION INSULATORS |
| ISSN号 | 1098-0121 |
| 中文摘要 | we have applied the green-function method in the gw approximation to calculate quasiparticle energies for the semiconductors gap and gaas. good agreement between the calculated excitation energies and the experimental results was achieved. we obtained calculated direct band gaps of gap and gaas of 2.93 and 1.42 ev, respectively, in comparison with the experimental values of 2.90 and 1.52 ev, respectively. an ab initio pseudopotential method has been used to generate basis wave functions and charge densities for calculating the dielectric matrix elements and self-enegies. to evaluate the dynamical effects of the screened interaction, the generalized-plasma-pole model has been utilized to extend the dielectric matrix elements from static results to finite frequencies. we presen the calculated quasiparticle energies at various high-symmetry points of the brillouin zone and compare them with the experimental results and other calculations. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-11-15 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/14337]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | WANG JQ,GU ZQ,LI MF. 1ST-PRINCIPLES CALCULATIONS FOR QUASI-PARTICLE ENERGIES OF GAP AND GAAS[J]. physical review b,1991,44(16):8707-8712. |
| APA | WANG JQ,GU ZQ,&LI MF.(1991).1ST-PRINCIPLES CALCULATIONS FOR QUASI-PARTICLE ENERGIES OF GAP AND GAAS.physical review b,44(16),8707-8712. |
| MLA | WANG JQ,et al."1ST-PRINCIPLES CALCULATIONS FOR QUASI-PARTICLE ENERGIES OF GAP AND GAAS".physical review b 44.16(1991):8707-8712. |
入库方式： OAI收割
来源：半导体研究所
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。