First-principle calculation of migration processes of as during growth on GaAs(001)

被引：0
|
作者：
Seino, Kaori [1 ]
Ishii, Akira [1 ]
Kawamura, Takaaki [2 ]
机构：
[1] Dept. of Appl. Math. and Physics, Tottori University, Koyama, Tottori 680-8552, Japan
[2] Department of Physics, Yamanashi University, Kofu, Yamanashi 400-8510, Japan
来源：
Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers | 2000年 / 39卷 / 7 B期
关键词：
Anisotropy - Arsenic - Computer simulation - Density (specific gravity) - Molecular beam epitaxy - Monte Carlo methods - Scanning tunneling microscopy;
D O I：
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学科分类号：
摘要：
The microscopic migration of an As adatom on a Ga-terminated GaAs(001) surface is investigated by performing first-principle calculations using density functional theory and a slab model of the surface, because the importance of As adatom migration has been reported. The obtained values of barrier energy are compared with those to hopping in the kinetic Monte Carlo simulation. The anisotropic migration of the As adatom is clarified, which agrees with the result of the kinetic Monte Carlo simulation as well as the properties obtained by the scanning tunneling microscopy observation. It is shown that an As adatom is more mobile than a Ga adatom, and the kinetics of both As and Ga atoms on the growing surface are important during molecular beam epitaxial growth.
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页码：4285 / 4288
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