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

来源：

APPLIED PHYSICS LETTERS | 2012年 / 100卷 / 25期

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]

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