First principles calculation of the real part of phonon self energy in compound semiconductors

被引：21

作者：

Debernardi, A ^{[1
]}

Cardona, M ^{[1
]}

机构：

[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

来源：

PHYSICA B | 1999年 / 263卷

关键词：

phonons and vibrations in crystal lattices; anharmonic lattice modes; ab initio calculation;

D O I：

10.1016/S0921-4526(98)01272-1

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present first principles calculations of the real part of the self energy for the transverse optical phonon at the Brillouin rone center in GaAs. The various contributions at zero temperature ape analyzed and discussed. Our result for the temperature dependence of the real part of the phonon self energy is in good agreement with the available experimental data. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：687 / 690

页数：4

共 8 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].

BACHELET, GB ;

HAMANN, DR ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228

[2] Isotopic effects on the lattice constant in compound semiconductors by perturbation theory: An ab initio calculation [J].

Debernardi, A ;

Cardona, M .

PHYSICAL REVIEW B, 1996, 54 (16) :11305-11310

[3] ANHARMONIC PHONON LIFETIMES IN SEMICONDUCTORS FROM DENSITY-FUNCTIONAL PERTURBATION-THEORY [J].

DEBERNARDI, A ;

BARONI, S ;

MOLINARI, E .

PHYSICAL REVIEW LETTERS, 1995, 75 (09) :1819-1822

[4] Phonon linewidth in III-V semiconductors from density-functional perturbation theory [J].

Debernardi, A .

PHYSICAL REVIEW B, 1998, 57 (20) :12847-12858

[5] NORM-CONSERVING PSEUDOPOTENTIALS [J].

HAMANN, DR ;

SCHLUTER, M ;

CHIANG, C .

PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497

[6] The temperature dependence of the LO(Gamma) and TO(Gamma) phonons in GaAs and InP [J].

Irmer, G ;

Wenzel, M ;

Monecke, J .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1996, 195 (01) :85-95

[7]

Lundquist S., 1983, Theory of the inhomogeneous electron gas

[8] TEMPERATURE-DEPENDENCE OF THE 1ST-ORDER RAMAN-SCATTERING BY PHONONS IN SI, GE, AND A-SN - ANHARMONIC EFFECTS [J].

MENENDEZ, J ;

CARDONA, M .

PHYSICAL REVIEW B, 1984, 29 (04) :2051-2059

← 1 →