Ab initio study of GaAs(100) surface stability over As2, H2 and N2 as a model for vapor-phase epitaxy of GaAs1-xNx

Hubert Valencia, Yoshihiro Kangawa, Koichi Kakimoto

研究成果: Contribution to journalArticle査読

2 被引用数 (Scopus)


GaAs(100) c(4×4) surfaces were examined by ab initio calculations, under As2, H2 and N2 gas mixed conditions as a model for GaAs1-xNx vapor-phase epitaxy (VPE) on GaAs(100). Using a simple model consisting of As2 and H2 molecules adsorptions and As/N atom substitutions, it was shown to be possible to examine the crystal growth behavior considering the relative stability of the resulting surfaces against the chemical potential of As2, H2 and N2 gases. Such simple model allows us to draw a picture of the temperature and pressure stability domains for each surfaces that can be linked to specific growth conditions, directly. We found that, using this simple model, it is possible to explain the different N-incorporation regimes observed experimentally at different temperatures, and to predict the transition temperature between these regimes. Additionally, a rational explanation of N-incorporation ratio for each of these regimes is provided. Our model should then lead to a better comprehension and control of the experimental conditions needed to realize a high quality VPE of GaAs1-xNx.

ジャーナルJournal of Crystal Growth
出版ステータス出版済み - 12 15 2015

All Science Journal Classification (ASJC) codes

  • 凝縮系物理学
  • 無機化学
  • 材料化学


「Ab initio study of GaAs(100) surface stability over As<sub>2</sub>, H<sub>2</sub> and N<sub>2</sub> as a model for vapor-phase epitaxy of GaAs<sub>1-x</sub>N<sub>x</sub>」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。