CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD
文献类型：期刊论文
| 作者 | WANG JQ ; GU ZQ ; LI MF |
| 刊名 | chinese physics letters
 |
| 出版日期 | 1991 |
| 卷号 | 8期号:1页码:21-24 |
| 关键词 | ZONE-CENTER PHONONS CRYSTALS MATRICES SILICON SI |
| ISSN号 | 0256-307x |
| 通讯作者 | wang jq acad sinicagrad schdept physbeijing 100039peoples r china |
| 中文摘要 | we have used ab initio pseudopotential method to generate basis wavefunctions and eigen energies to carry out first principle calculations of the static macroscopic dielectric constant for gaas and gap. the resulted converged random phase approximation (rpa) value is 12.55 and 10.71, in excellent agreement to the experimental value of 12.4 and 10.86, respectively. the inclusion of the exchange correlation contribution makes the calculated result slightly worsen. a convergence test with respect to the number of k points in brillouin zone (bz) integration was carried out. sixty irreducible bz k points were used to achieve the converged results. integration with only 10 special k points increased the rpa value by 15%. |
| 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/172111/14265]  |
| 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. CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD[J]. chinese physics letters,1991,8(1):21-24. |
| APA | WANG JQ,GU ZQ,&LI MF.(1991).CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD.chinese physics letters,8(1),21-24. |
| MLA | WANG JQ,et al."CALCULATION OF DIELECTRIC-CONSTANTS FOR SEMICONDUCTORS - AN APPLICATION OF ABINITIO PSEUDOPOTENTIAL METHOD".chinese physics letters 8.1(1991):21-24. |
入库方式： OAI收割
来源：半导体研究所
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