Theoretical study of the stability of wurtzite, zinc-blende, NaCl and CsCl phases in group IIIB and IIIA nitrides

被引：25

作者：

Mancera, L ^{[1
]}

Rodríguez, JA

Takeuchi, N

机构：

[1] Univ Nacl Colombia, Dept Fis, Bogota, Colombia

[2] Univ Nacl Autonoma Mexico, Ctr Ciencias Mat Condensada, Ensenada 22800, Baja California, Mexico

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2004年 / 241卷 / 10期

关键词：

D O I：

10.1002/pssb.200404910

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The relative stability of wurtzite, zinc-blende, rock-salt and CsCl structures and the possibility of high-pressure phase transformations from wurtzite to rocksalt and from rocksalt to CsCl is of special interest. We present a comparative study of the stability of these phases for two Group IIIB-nitrides (ScN, YN) and two Group IIIA-nitrides (GaN, InN), in the framework of DFT. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：2424 / 2428

页数：5

共 16 条

[1]

BLAHA P, 1999, WIEN97 FULL POTENTIA

[2] OPTICAL AND STRUCTURAL-PROPERTIES OF III-V NITRIDES UNDER PRESSURE [J].