Theory of Ga, N and H terminated GaN (0 0 0 1)/(0 0 0 (1)over-bar) surfaces

被引：40

作者：

Elsner, J ^{[1
]}

Haugk, M ^{[1
]}

Jungnickel, G ^{[1
]}

Frauenheim, T ^{[1
]}

机构：

[1] Tecn Univ Chemnitz, D-09107 Chemnitz, Germany

来源：

SOLID STATE COMMUNICATIONS | 1998年 / 106卷 / 11期

关键词：

D O I：

10.1016/S0038-1098(98)00119-7

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present a theoretical study of atomic structures, electrical properties and formation energies for a variety of possible reconstructions with 1 x 1 and 2 x 2 periodicity of the GaN (0001) and (000 (1) over bar) surfaces. We find that during MBE growth in the (0001) direction 2 x 2 structures become stable under N rich growth conditions while Ga rich environment should yield structures with 1 x 1 periodicity. Considering MBE growth on (000 (1) over bar) surfaces reconstructions with 1 x 1 periodicity have low energies. During MOCVD growth where H terminated surfaces may occur 1 x 1 periodicities are found to be stable for both growth directions. (C) 1998 Elsevier Science Ltd. All rights reserved.

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页码：739 / 743

页数：5

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