DFT Modeling of Unintentional Oxygen Incorporation Enhanced by Magnesium in GaN(0001) and AlN(0001) Growth Surfaces during Metal-Organic Vapor-Phase Epitaxy

Akira Kusaba, Romeo Marcel Kurniawan, Paweł Kempisty, Yoshihiro Kangawa

研究成果: ジャーナルへの寄稿学術誌査読

抄録

Understanding the physics of unintentional doping and defect formation during epitaxial growth of III-nitride semiconductors is crucial to develop optical and electronic devices. Herein, the impact of magnesium doping on unintentional oxygen incorporation into GaN and AlN during metal-organic vapor-phase epitaxy is investigated by first-principles calculations. It is found that the presence of Mg substituting group-III atoms (Ga or Al) in subsurface layers energetically promotes unintentional oxygen incorporation. The calculation results also suggest that even when Mg + H complex defects exist in subsurface layers, they promote unintentional oxygen incorporation in a similar manner. The mechanism of unintentional oxygen incorporation enhanced by magnesium doping and complex defect structures is discussed in terms of charge neutrality or electron-counting model in the growth surface.

本文言語英語
論文番号2100430
ジャーナルPhysica Status Solidi (B) Basic Research
259
6
DOI
出版ステータス出版済み - 6月 2022
外部発表はい

!!!All Science Journal Classification (ASJC) codes

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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