First-principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions

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

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

First-principles calculations are used to investigate the stable structures of the GaN(0001) and (000–1) surfaces under oxide vapor phase epitaxy growth conditions. The surface phase diagrams as a function of temperature and Ga pressure are described. It was found that the GaN(0001) surface is covered by OH groups. For the GaN(000–1) surface, the stable surface structure is with H atoms adsorbed on the topmost N atoms or an O atom stably incorporated into the Ga monolayer. We discuss the relationship between the growth conditions and O impurity incorporation. From the results, we suggest that high H2 pressure and high temperature growth conditions are favorable for decreasing O impurity incorporation.

Original languageEnglish
Article number1600706
JournalPhysica Status Solidi (B) Basic Research
Volume254
Issue number8
DOIs
Publication statusPublished - Aug 1 2017

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Vapor phase epitaxy
vapor phase epitaxy
Oxides
Phase diagrams
phase diagrams
oxides
Atoms
Impurities
Growth temperature
impurities
Surface structure
Monolayers
adatoms
atoms
temperature
Temperature

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

First-principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions. / Kawamura, Takahiro; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Mori, Yusuke; Morikawa, Yoshitada; Kangawa, Yoshihiro; Kakimoto, Koichi.

In: Physica Status Solidi (B) Basic Research, Vol. 254, No. 8, 1600706, 01.08.2017.

Research output: Contribution to journalArticle

Kawamura, Takahiro ; Kitamoto, Akira ; Imade, Mamoru ; Yoshimura, Masashi ; Mori, Yusuke ; Morikawa, Yoshitada ; Kangawa, Yoshihiro ; Kakimoto, Koichi. / First-principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions. In: Physica Status Solidi (B) Basic Research. 2017 ; Vol. 254, No. 8.
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AU - Mori, Yusuke

AU - Morikawa, Yoshitada

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