| Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors |
| S. Q. Wang; H. Q. Ye
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| 2005
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| 发表期刊 | Journal of Physics-Condensed Matter
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| ISSN | 0953-8984
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| 卷号 | 17期号:28页码:4475-4488 |
| 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. |
| 部门归属 | chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china.;wang, sq (reprint author), chinese acad sci, met res inst, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;sqwang@imr.ac.cn
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| 关键词 | Lattice-dynamical Properties
Functional Perturbation-theory
Bond-orbital Model
Effective Charges
Lonsdaleite Phases
Raman-scattering
Force-constants
1st-principles
Crystals
Diamond
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| URL | 查看原文
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| WOS记录号 | WOS:000231004400009
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/35094
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| 专题 | 中国科学院金属研究所
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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.
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| 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.
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| 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.
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