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

Research output: Contribution to journalArticle

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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 languageEnglish
Article number141602
JournalApplied Physics Letters
Volume111
Issue number14
DOIs
Publication statusPublished - Oct 2 2017

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vapor phase epitaxy
density functional theory
carbon
impurities
diluents
nitrogen
symmetry
hydrogen
gases
interactions

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

Kempisty, P., Kangawa, Y., Kusaba, A., Shiraishi, K., Krukowski, S., Bockowski, M., ... Amano, H. (2017). DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy. Applied Physics Letters, 111(14), [141602]. https://doi.org/10.1063/1.4991608

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 journalArticle

Kempisty, Pawel ; Kangawa, Yoshihiro ; Kusaba, Akira ; Shiraishi, Kenji ; Krukowski, Stanislaw ; Bockowski, Michal ; Kakimoto, Koichi ; Amano, Hiroshi. / DFT modeling of carbon incorporation in GaN(0001) and GaN(000 1 ) metalorganic vapor phase epitaxy. In: Applied Physics Letters. 2017 ; Vol. 111, No. 14.
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