Structural and electronic properties of zinc blend GaAs1-xBix solid solutions

被引：33

作者：

Abdiche, A. ^{[1
]}

Abid, H. ^{[1
]}

Riane, R. ^{[2
]}

Bouaza, A.

机构：

[1] Univ Res Sidi Bel Abbes, Appl Mat Lab, Sidi Bel Abbes 22000, Algeria

[2] Univ Res Sidi Bel Abbes, Computat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria

来源：

PHYSICA B-CONDENSED MATTER | 2010年 / 405卷 / 09期

关键词：

DFT; Semi-metals; Semiconductors; FP-LAPW; GaAs; GaBi; GaAsBi; TEMPERATURE; FILMS;

D O I：

10.1016/j.physb.2010.02.034

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

First principles total energy calculations were carried out to investigate structural and electronic properties of zinc-blend (ZB) GaAs, GaBi and GaAs1-xBix solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and GaAs1-xBix band-gap energy for zinc blend-type crystals of the compositions x=0, 0.25, 0.5, 0.75, 1. Discussions will be given in comparison with results obtained with other available theoretical and experimental results. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：2311 / 2316

页数：6

共 27 条

[1] Structural and electronic properties of GaAsBi [J].

Achour, H. ;

Louhibi, S. ;

Amrani, B. ;

Tebboune, A. ;

Sekkal, N. .

SUPERLATTICES AND MICROSTRUCTURES, 2008, 44 (02) :223-229

[2] Valence band anticrossing in GaBixAs1-x [J].

Alberi, K. ;

Dubon, O. D. ;

Walukiewicz, W. ;

Yu, K. M. ;

Bertulis, K. ;

Krotkus, A. .

APPLIED PHYSICS LETTERS, 2007, 91 (05)

[3] Highly-reproducible preparation of Pb(Zr, Ti)O3 films at low deposition temperature by metal organic chemical vapor deposition [J].

Asano, G ;

Oikawa, T ;

Funakubo, H .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 2003, 42 (5A) :2801-2804

[4]

Blaha P., 2001, CALCULATING CRYST PR, V60

[5]

FERHAT M, 2006, PHYS REV B, P11517

[6] Giant spin-orbit bowing in GaAs1-xBix [J].

Fluegel, B. ;

Francoeur, S. ;

Mascarenhas, A. ;

Tixier, S. ;

Young, E. C. ;

Tiedje, T. .

PHYSICAL REVIEW LETTERS, 2006, 97 (06)

[7] 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

[8] 1ST-PRINCIPLES IONICITY SCALES .1. CHARGE ASYMMETRY IN THE SOLID-STATE [J].

GARCIA, A ;

COHEN, ML .

PHYSICAL REVIEW B, 1993, 47 (08) :4215-4221

[9]

Hanfland M., 1984, J PHYS, V45

[10] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

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

← 1 2 3 →