Stability and electronic structure of the cinnabar phase in GaAs

被引：18

作者：

Kelsey, AA ^{[1
]}

Ackland, GJ ^{[1
]}

Clark, SJ ^{[1
]}

机构：

[1] Univ Edinburgh, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland

来源：

PHYSICAL REVIEW B | 1998年 / 57卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.57.R2029

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have performed nb initio pseudopotential calculations to investigate the pressure-induced phase transitions in GaAs in the light of the recent experimental observation of a stable cinnabar structure. We find that a cinnabar structure is metastable with respect to other candidate structures, although extremely close to stability for pressures in the region of 16 GPa. This is in good agreement with experiment, where it has been observed to coexist with the zinc-blende and Cmcm phases in this pressure regime. It had been suggested that the cinnabar structure is the only known semiconducting high-pressure phase in a III-V compound. We perform band-structure calculations on this high-pressure structure and confirm that the material is semiconducting.

引用

页码：R2029 / R2032

页数：4

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