Adatom-adatom and adatom-surface interactions: Islands and chains of Cl on GaAs(110)
- Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa 50011 (United States)
- Department of Chemical Engineering and Materials Science, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, Minnesota 55455 (United States)
Calculations are presented that quantify the adatom-surface and adatom-adatom interactions for Cl adsorption on GaAs(110). Expanding on a previous study of uniform Cl adatom islands, the present work investigates the surface relaxation energy in response to uniform Cl coverage. Compared to the bare (110) surface relaxation, a Cl adatom adsorbed near the surface Ga atom (the {ital A} site) causes relaxation back toward the zinc-blende atomic positions, which lowers the cell energy by about 1 eV, while a Cl adatom adsorbed on top of a surface As (the {ital B} site) has very little effect on the surface geometry. Additionally, the stability of linear chains of adatoms, similar to chains seen experimentally, and their effect on the surface GaAs geometry is investigated. We find an attractive Cl-Cl pair interaction, which is approximately 1.25 eV per Cl({ital A})-Cl({ital B}) pair in the linear chain geometry. {copyright} {ital 1996 The American Physical Society.}
- Research Organization:
- Ames National Laboratory
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 371334
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 19 Vol. 53; ISSN PRBMDO; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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