First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth

Takahiro Kawamura, Akira Kitamoto, Mamoru Imade, Masashi Yoshimura, Yusuke Mori, Yoshitada Morikawa, Yoshihiro Kangawa, Koichi Kakimoto, Toru Akiyama

Research output: Contribution to journalArticle

Abstract

Stable structures of polar, nonpolar, and semipolar GaN surfaces undergoing oxide vapor phase epitaxy (OVPE) growth were examined with firstprinciples calculations. The relationships between temperature and pressure growth conditions and stable surface structures are described in surface phase diagrams. The results revealed that an O atom was stably incorporated into the N vacancy site in the N-polar and nonpolar surfaces. The desorption energy of the O atom from the GaN surfaces was estimated to be about 7 eV or higher. This indicates that the O atom did not readily desorb from the GaN surfaces under OVPE growth conditions at 1500 K. The desorption energy from the [0001] surface was the highest and that from the [1011] surface was the smallest among the calculated values. There was no significant difference in desorption energy among other surfaces.

Original languageEnglish
Article number115504
JournalJapanese Journal of Applied Physics
Volume57
Issue number11
DOIs
Publication statusPublished - Nov 1 2018

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Vapor phase epitaxy
vapor phase epitaxy
Oxides
oxides
Desorption
desorption
Atoms
atoms
Surface structure
Vacancies
Phase diagrams
energy
phase diagrams

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physics and Astronomy(all)

Cite this

Kawamura, T., Kitamoto, A., Imade, M., Yoshimura, M., Mori, Y., Morikawa, Y., ... Akiyama, T. (2018). First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth. Japanese Journal of Applied Physics, 57(11), [115504]. https://doi.org/10.7567/JJAP.57.115504

First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth. / Kawamura, Takahiro; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Mori, Yusuke; Morikawa, Yoshitada; Kangawa, Yoshihiro; Kakimoto, Koichi; Akiyama, Toru.

In: Japanese Journal of Applied Physics, Vol. 57, No. 11, 115504, 01.11.2018.

Research output: Contribution to journalArticle

Kawamura, Takahiro ; Kitamoto, Akira ; Imade, Mamoru ; Yoshimura, Masashi ; Mori, Yusuke ; Morikawa, Yoshitada ; Kangawa, Yoshihiro ; Kakimoto, Koichi ; Akiyama, Toru. / First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth. In: Japanese Journal of Applied Physics. 2018 ; Vol. 57, No. 11.
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AU - Kawamura, Takahiro

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AU - Yoshimura, Masashi

AU - Mori, Yusuke

AU - Morikawa, Yoshitada

AU - Kangawa, Yoshihiro

AU - Kakimoto, Koichi

AU - Akiyama, Toru

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