DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy

Pawel Kempisty; Yoshihiro Kangawa; Akira Kusaba; Kenji Shiraishi; Stanislaw Krukowski; Michal Bockowski; Koichi Kakimoto; Hiroshi Amano

doi:10.1063/1.4991608

DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy

Pawel Kempisty, Yoshihiro Kangawa, Akira Kusaba, Kenji Shiraishi, Stanislaw Krukowski, Michal Bockowski, Koichi Kakimoto, Hiroshi Amano

Division of Renewable Energy Dynamics

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

The carbon incorporation mechanism in GaN(0001) and GaN(000 1) during MOVPE was investigated using density functional theory (DFT) calculations. The results confirm that the crucial factors for carbon incorporation are Fermi level pinning and accompanying surface band bending. In addition, the lattice symmetry has a strong dependence on the stability of carbon in a few subsurface layers, which results from interactions between the impurities and surface states. It was shown that these effects are responsible for facilitating or hindering the incorporation of impurities and dopants. The influence of diluent gas species (hydrogen or nitrogen) on carbon incorporation was discussed.

Original language	English
Article number	141602
Journal	Applied Physics Letters
Volume	111
Issue number	14
DOIs	https://doi.org/10.1063/1.4991608
Publication status	Published - Oct 2 2017

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.4991608

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DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy. / Kempisty, Pawel ; Kangawa, Yoshihiro ; Kusaba, Akira; Shiraishi, Kenji; Krukowski, Stanislaw; Bockowski, Michal; Kakimoto, Koichi; Amano, Hiroshi.

In: Applied Physics Letters, Vol. 111, No. 14, 141602, 02.10.2017.

Research output: Contribution to journal › Article › peer-review

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AU - Kakimoto, Koichi

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