Ab initio-based Approach to Structural Stability of GaAs Surfaces

• KANGAWA Yoshihiro

  Department of Applied Chemistry, Tokyo University of Agriculture and Technology

• ITO Tomonori

  Department of Physics Engineering, Mie University

• SHIRAISHI Kenji

  Institute of Physics, University of Tsukuba

• OHACHI Tadashi

  Department of Electrical Engineering, Doshisha University

• KOUKITU Akinori

  Department of Applied Chemistry, Tokyo University of Agriculture and Technology

Bibliographic Information

Other Title

• ＧａＡｓ表面構造の安定性に対する量子論的アプローチ

Abstract

An ab initio-based approach was made to understand the influences of temperature and beam equivalent pressure (BEP) on the structural stability of GaAs surfaces. The theoretical approach incorporates free energy of vapor phase; therefore we can calculate how structural stability of GaAs surfaces depends on the temperature and beam equivalent pressure. By the theoretical investigations, temperature and BEP dependences of the stability of GaAs(001)-(4×2) β 2 were predicted. The results agree with experimental results, and feasibility of the theoretical approach was confirmed. Furthermore, the relative stability of Ga adatom among the case of that on GaAs(001)-(2×4) β 2 and (11n)A (n = 2, 3 and 4) surfaces were studied. The results imply that Ga on (113)A is the most stable amongst (001) and all (11n)A surfaces. This is because the strain around the Ga adatom on (113)A is the smallest in the systems.

Journal

• Hyomen Kagaku

  Hyomen Kagaku 24 (10), 642-647, 2003

  The Surface Science Society of Japan

Details

• CRID: 1390001206457535616
• NII Article ID: 130004486109
• DOI: 10.1380/jsssj.24.642
• COI: 1:CAS:528:DC%2BD2cXpsFWk
• ISSN: 18814743
• ISSN: 03885321
• Web Site: http://www.jstage.jst.go.jp/article/jsssj/24/10/24_10_642/_pdf
• Text Lang: ja
• Data Source:
  • JaLC
  • Crossref
  • CiNii Articles
• Abstract License Flag: Disallowed