A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure

被引：129

作者：

Wang, SQ ^{[1
]}

Ye, HQ ^{[1
]}

机构：

[1] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2002年 / 14卷 / 41期

关键词：

D O I：

10.1088/0953-8984/14/41/313

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The results of a plane-wave pseudopotential study on the mechanical and electronic properties of twelve III-V zinc-blende (ZB) and wurtzite (WZ) semiconductors under pressure are presented. The lattice parameters, bulk moduli B-0, energy band types, band-gaps E-g(Gamma) at the Gamma point, and pressure dependences of E-g(Gamma) are investigated in detail. Our results show that the E-g(Gamma)-P relations can be classified into two distinct types for these ZB and WZ phases. A transformation from one type of E-g(Gamma)-P-relation to the other type is found to occur in some WZ phases. Linear relationships between the bulk moduli and the inverse of unit-cell volumes at P = 0 are also found for the ZB and WZ phases.

引用

页码：9579 / 9587

页数：9

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