Role of hydrogen in surface reconstructions and growth of GaN

被引：30
|
作者：
Van de Walle, CG
Neugebauer, J
机构：
[1] Palo Alto Res Ctr, Palo Alto, CA 94304 USA
[2] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
[3] Paul Drude Inst, D-10117 Berlin, Germany
来源：
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B | 2002年 / 20卷 / 04期
关键词：
D O I：
10.1116/1.1491545
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
We present first-principles calculations for the atomic structure and energetics of hydrogenated GaN(0001) surfaces. The geometry of the most relevant surface reconstructions is discussed in detail. Finite-temperature effects are included through calculations of the Gibbs free energy and the stability of various surface reconstructions is analyzed in terms of a generalized surface phase diagram. A comparison with recent experiments elucidates the energetic and structural properties of GaN surfaces under growth conditions. (C) 2002 American Vacuum Society.
引用
收藏
页码：1640 / 1646
页数：7
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