Theoretical analysis of the atomic process on the growth surface: <i>ab initio</i> study

• Kawano Jun

  Creative Research Institution (CRIS), Hokkaido University

• Kangawa Yoshihiro

  Research Institute for Applied Mechanics, Kyusyu University

• Nagai Takaya

  Graduate School of Science, Hokkaido University

Bibliographic Information

Other Title

• 結晶成長における表面過程の第一原理計算による考察

Abstract

First-principle calculations of growth surfaces were performed to understand the atomic process during the crystal growth. Here, as examples of the applications of this kind of calculations, the following two systems were analyzed: incorporation process of nitrogen (N) into GaAsN and diamond. In these systems, the stable surface structure under a certain growth conditions was determined, and substation energies of N into various sites on the stable surfaces were calculated. By combining with analysis of the stability of the defects in bulk crystal, incorporation/aggregation process of N could be indicated.

Journal

• Abstracts for Annual Meeting of Japan Association of Mineralogical Sciences

  Abstracts for Annual Meeting of Japan Association of Mineralogical Sciences 2012 (0), 98-, 2012

  Japan Association of Mineralogical Sciences

Keywords

• first-principles calculation
• growth surface
• surface reconstruction

Details

• CRID: 1390001205544828160
• NII Article ID: 130005468478
• DOI: 10.14824/jakoka.2012.0_98
• Text Lang: ja
• Data Source:
  • JaLC
  • CiNii Articles
• Abstract License Flag: Disallowed