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

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3 Author(s)
Akiyama, Toru ; Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan ; Nakamura, Kohji ; Ito, Tomonori

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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.

Published in:

Applied Physics Letters  (Volume:100 ,  Issue: 25 )

Date of Publication:

Jun 2012

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