Do all III-V compounds have the zinc-blende or wurtzite ground state structure?

被引：42

作者：

Ferhat, M ^{[1
]}

Zaoui, A

机构：

[1] USTO, Dept Phys, Oran 31000, Algeria

[2] Univ Sci & Technol Lille, LML, Polytech Lille, F-59655 Villeneuve Dascq, France

来源：

APPLIED PHYSICS LETTERS | 2006年 / 88卷 / 16期

关键词：

D O I：

10.1063/1.2196050

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary III-V compounds; however, little is known about the stability of the missing TI-V and III-Bi compounds. Using the state-of-the-art full-potential linearized augmented plane wave method, we investigate systematically the ground state structure of all the TI-V and III-Bi compounds by calculating the total energy of the ZB, W, and tetragonal (PbO) phases. We found that the PbO phase is the most stable for the heavier III-V compounds: TISb, TIBi, and InBi.

引用

页数：3

共 16 条

[1] FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE-WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS [J].