Ab initio-based study for adatom kinetics on AlN(0001) surfaces during metal-organic vapor-phase epitaxy growth

被引:32
作者
Akiyama, Toru [1 ]
Nakamura, Kohji [1 ]
Ito, Tomonori [1 ]
机构
[1] Mie Univ, Dept Engn Phys, Tsu, Mie 5148507, Japan
基金
日本学术振兴会;
关键词
ALN; GAN; PSEUDOPOTENTIALS; DIFFUSION; GAAS(001);
D O I
10.1063/1.4729479
中图分类号
O59 [应用物理学];
学科分类号
摘要
The kinetics of Al and N adatoms on reconstructed AlN(0001) surfaces under growth conditions is investigated by performing first-principles pseudopotential calculations. Our calculations reveal that the adsorption of Al adatom strongly depends on the surface reconstruction while its diffusion is not affected by the reconstruction: the adsorption of Al adatom on the surface under N-rich conditions is much easier than that under H-rich conditions. These results indicate that the growth of AlN during metal-organic vapor-phase epitaxy is prominent under N-rich conditions rather than H-rich conditions, consistent with experimentally reported growth rate difference. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729479]
引用
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页数:3
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