DFT calculations of phonons in GaAs with zinc blende and wurtzite structures

被引：4

作者：

Petrova, N. V. ^{[1
]}

Yakovkin, I. N. ^{[1
]}

机构：

[1] Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev, Ukraine

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2013年 / 250卷 / 10期

关键词：

density functional theory; GaAs; nanowires; phonon band structure; SPACE GAUSSIAN PSEUDOPOTENTIALS; DISPERSION; GAN;

D O I：

10.1002/pssb.201349256

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The phonon bands of GaAs with zinc blende and wurtzite structures have been calculated by DFT method. The estimated phonon frequencies at the center of Brillouin zone are compared with results of recent Raman spectroscopy studies of GaAs nanowires, where the formation of the wurtzite structure is favorable. Present calculations confirm the assignments of the peaks in the spectra to transfer optical (TO) and longitudinal optical (LO) phonon modes in wurtzite structure in forming GaAs nanowires. (C) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

引用

页码：2141 / 2144

页数：4

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