Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors
文献类型：期刊论文
| 作者 | S. Q. Wang ; H. Q. Ye |
| 刊名 | Journal of Physics-Condensed Matter
 |
| 出版日期 | 2005 |
| 卷号 | 17期号:28页码:4475-4488 |
| 关键词 | lattice-dynamical properties functional perturbation-theory bond-orbital model effective charges lonsdaleite phases raman-scattering force-constants 1st-principles crystals diamond |
| ISSN号 | 0953-8984 |
| 中文摘要 | Theoretical results of a first-principles plane-wave pseudopotential study on the phonon and dielectric properties for the nitrides, phosphides, and arsenides of Al, Ga, and In under hydrostatic pressure are presented. The pressure dependences of the dielectric constant, phonon frequencies at the Gamma point, polarity, and localized and non-localized effective charges are calculated. We found that the dielectric constant, dynamic effective charge, and polarity decrease, while the localized effective charge and optical phonon frequencies increase with pressure for all these III-V phases. The distinctive behaviours as regards lattice dynamics of these compounds are explained on the basis of the non-localized to localized charge transference inside the crystal under pressure. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35094]  |
| 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. Q. Wang,H. Q. Ye. Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors[J]. Journal of Physics-Condensed Matter,2005,17(28):4475-4488. |
| APA | S. Q. Wang,&H. Q. Ye.(2005).Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors.Journal of Physics-Condensed Matter,17(28),4475-4488. |
| MLA | S. Q. Wang,et al."Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors".Journal of Physics-Condensed Matter 17.28(2005):4475-4488. |
入库方式： OAI收割
来源：金属研究所
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