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	Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors
	S. Q. Wang ; H. Q. Ye
刊名	Journal of Physics-Condensed Matter
	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	://WOS:000231004400009
公开日期	2012-04-14
内容类型	期刊论文
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.

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