GaN(0001) surface structures studied using scanning tunneling microscopy and first-principles total energy calculations

被引:112
作者
Smith, AR
Feenstra, RM [1 ]
Greve, DW
Shin, MS
Skowronski, M
Neugebauer, J
Northrup, JE
机构
[1] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA
[2] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA
[3] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA
[4] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
[5] Xerox Corp, Palo Alto Res Ctr, Palo Alto, CA 94304 USA
关键词
density functional calculations; gallium nitride; low-index single crystal surface; reflection high-energy electron diffraction (RHEED); scanning tunneling microscopy; surface reconstruction;
D O I
10.1016/S0039-6028(98)00903-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Surface reconstructions occurring on the (0001) surface of wurtzite GaN are studied using scanning tunneling microscopy, electron diffraction, and Auger electron spectroscopy. The family of reconstructions found on this face includes 2 x 2, 5 x 5, 6 x 4, and '1 x 1', in order of increasing surface Ga/N ratio. Detailed experimental results are presented for each of these reconstructions. First-principles total energy calculations are employed to identify possible model structures. An adatom model, with N-adatoms occupying H3 sites, is proposed for the 2 x 2 reconstruction. A model composed of N adatoms, Ga adatoms, and Ga vacancies is proposed for the 5 x 5 reconstruction. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:70 / 84
页数:15
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