High-pressure band parameters for GaAs: first principles calculations

被引：56

作者：

Saib, S.

Bouarissa, N.

机构：

[1] King Khalid Univ, Fac Sci, Dept Phys, Abha, Saudi Arabia

[2] Univ Sila, Fac Sci & Engn, Dept Phys, Msila 28000, Algeria

来源：

SOLID-STATE ELECTRONICS | 2006年 / 50卷 / 05期

关键词：

pressure; ab initio calculations; structural properties; electronic properties; semiconductors;

D O I：

10.1016/j.sse.2006.04.002

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Structural and electronic parameters of zincblende GaAs are obtained from density-functional-theory calculations utilizing an ab initio total energy pseudopotential technique within the local-density and the generalized gradient approximations. Detailed comparisons are made with the existing measured values and with results obtained in previous theoretical studies. The agreement between the present results and the available data from the literature is roughly satisfactory. Dependencies of some computed quantities on pressure are examined. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：763 / 768

页数：6

共 30 条

[1] ORDERING AND ABSOLUTE ENERGIES OF L6C AND X6C CONDUCTION-BAND MINIMA IN GAAS [J].