Computics approach toward clarification of atomic reactions during epitaxial growth of GaN

Atsushi Oshiyama, Kieu My Bui, Mauro Boero, Yoshihiro Kangawa, Kenji Shiraishi

研究成果: Chapter in Book/Report/Conference proceedingConference contribution

抄録

We report first-principles calculations based on the density-functional theory that clarify atomic reactions of ammonia decomposition and subsequent nitrogen incorporation during GaN epitaxial growth. We find that Ga-Ga weak bonds are ubiquitous on Ga-rich growing surface and responsible for the growth reactions. Furthermore, Car-Parrinello Molecular Dynamics simulations predict the existence of 2-dimensional Ga liquid phase, providing new insight into the epitaxial growth. The obtained results are expected to become basics for multi-scale growth simulations in future.

本文言語英語
ホスト出版物のタイトル2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020
出版社Institute of Electrical and Electronics Engineers Inc.
ページ11-14
ページ数4
ISBN(電子版)9784863487635
DOI
出版ステータス出版済み - 9 23 2020
外部発表はい
イベント2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020 - Virtual, Kobe, 日本
継続期間: 9 3 202010 6 2020

出版物シリーズ

名前International Conference on Simulation of Semiconductor Processes and Devices, SISPAD
2020-September

会議

会議2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020
国/地域日本
CityVirtual, Kobe
Period9/3/2010/6/20

All Science Journal Classification (ASJC) codes

  • 電子工学および電気工学
  • コンピュータ サイエンスの応用
  • モデリングとシミュレーション

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