Structural and electronic properties of group-III nitrides

被引：182

作者：

Vogel, D

Kruger, P

Pollmann, J

机构：

[1] Institut für Theoretische Physik II-Festkörperphysik, Universität Münster

来源：

PHYSICAL REVIEW B | 1997年 / 55卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.55.12836

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present first-principles calculations of structural and electronic properties of group-III nitrides in wurtzite and zinc-blende structure. For a most accurate treatment of these wide-band-gap semiconductors within local density approximation we employ our self-interaction- and relaxation-corrected pseudopotentials together with Gaussian-orbital basis sets. The results for BN, AlN, GaN, and InN are in good agreement with a host of experimental data yielding a consistent theoretical description of this class of technologically important semiconductor compounds.

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页码：12836 / 12839

页数：4

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