Lattice dynamics study of bismuth III-V compounds

被引：35

作者：

Belabbes, A. ^{[1
]}

Zaoui, A. ^{[2
]}

Ferhat, M. ^{[1
]}

机构：

[1] Univ Sci & Technol Oran, Dept Phys, Oran, Algeria

[2] Univ Sci & Tech Lille Flandres Artois, LML UMR 8107, F-59655 Villeneuve Dascq, France

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2008年 / 20卷 / 41期

关键词：

D O I：

10.1088/0953-8984/20/41/415221

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 structural and lattice-dynamical properties for cubic bismuth III-V compounds: BBi, AlBi and GaBi. The ground-state properties, i.e., the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. The effect of pressure on the dynamical charges and the longitudinal optical-transverse optical splitting is also examined.

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页数：4

相关论文

共 34 条

[11] Band gap of GaAs1-xBix, 0<x<3.6% [J].

Francoeur, S ;

Seong, MJ ;

Mascarenhas, A ;

Tixier, S ;

Adamcyk, M ;

Tiedje, T .

APPLIED PHYSICS LETTERS, 2003, 82 (22) :3874-3876

[12] Effect of pressure on optical phonon modes and transverse effective charges in GaN and AlN -: art. no. 035205 [J].

Goñi, AR ;

Siegle, H ;

Syassen, K ;

Thomsen, C ;

Wagner, JM .

PHYSICAL REVIEW B, 2001, 64 (03)

[13] Structural properties of copper halides [J].

Hassan, FE ;

Zaoui, A ;

Sekkal, W .

MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY, 2001, 87 (01) :40-47

[14] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[15] Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs [J].

Janotti, A ;

Wei, SH ;

Zhang, SB .

PHYSICAL REVIEW B, 2002, 65 (11) :1-5

[16] Raman modes of 6H polytype of silicon carbide to ultrahigh pressures - Comment [J].

Karch, K ;

Bechstedt, F .

PHYSICAL REVIEW LETTERS, 1996, 77 (08) :1660-1660

[17] How do electronic properties of conventional III-V semiconductors hold for the III-V boron bismuth BBi compound? [J].

Madouri, D ;

Ferhat, M .

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2005, 242 (14) :2856-2863

[18]

MADOURI D, 2008, COMPUT MAT IN PRESS

[19]

MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]

[20] The compressibility of media under extreme pressures [J].

Murnaghan, FD .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1944, 30 :244-247

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