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

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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.

Original languageEnglish
Title of host publication2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages11-14
Number of pages4
ISBN (Electronic)9784863487635
DOIs
Publication statusPublished - Sep 23 2020
Event2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020 - Virtual, Kobe, Japan
Duration: Sep 3 2020Oct 6 2020

Publication series

NameInternational Conference on Simulation of Semiconductor Processes and Devices, SISPAD
Volume2020-September

Conference

Conference2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020
Country/TerritoryJapan
CityVirtual, Kobe
Period9/3/2010/6/20

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Computer Science Applications
  • Modelling and Simulation

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