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Title: Halogen diffusion on a Ga-stabilized ζ-GaAs(001)–(4 × 2) surface

Abstract

The atomic and electronic structure of a Ga-stabilized GaAs(001) surface with the ζ(4 × 2) reconstruction and halogens in a number of symmetric sites on the surface are calculated by the plane-wave projector augmented wave method. The energy barriers of halogen-atom diffusion on this surface are calculated, which allow determination of the most preferred paths of their migration. It is shown that there is a low barrier (0.17–0.23 eV) for the diffusion of all halogens under consideration (I, Br, Cl, F) along the surface gallium dimer, whereas the barrier is significantly higher for diffusion between adjacent gallium dimers. In general, the energy barriers for halogen diffusion in both directions ([110] and [1-10]) point to their high surface mobility, despite high binding energies at a number of surface adsorption sites.

Authors:
;  [1]
  1. Russian Academy of Sciences, Institute of Strength Physics and Materials Science, Siberian Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22649715
Resource Type:
Journal Article
Resource Relation:
Journal Name: Semiconductors; Journal Volume: 50; Journal Issue: 9; Other Information: Copyright (c) 2016 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ADSORPTION; BINDING ENERGY; CARRIER MOBILITY; CRYSTAL STRUCTURE; DIFFUSION BARRIERS; DIMERS; ELECTRONIC STRUCTURE; GALLIUM; GALLIUM ARSENIDES; HALOGENS; SURFACES

Citation Formats

Bakulin, A. V., E-mail: bakulin@ispms.tsc.ru, and Kulkova, S. E. Halogen diffusion on a Ga-stabilized ζ-GaAs(001)–(4 × 2) surface. United States: N. p., 2016. Web. doi:10.1134/S1063782616090049.
Bakulin, A. V., E-mail: bakulin@ispms.tsc.ru, & Kulkova, S. E. Halogen diffusion on a Ga-stabilized ζ-GaAs(001)–(4 × 2) surface. United States. doi:10.1134/S1063782616090049.
Bakulin, A. V., E-mail: bakulin@ispms.tsc.ru, and Kulkova, S. E. Thu . "Halogen diffusion on a Ga-stabilized ζ-GaAs(001)–(4 × 2) surface". United States. doi:10.1134/S1063782616090049.
@article{osti_22649715,
title = {Halogen diffusion on a Ga-stabilized ζ-GaAs(001)–(4 × 2) surface},
author = {Bakulin, A. V., E-mail: bakulin@ispms.tsc.ru and Kulkova, S. E.},
abstractNote = {The atomic and electronic structure of a Ga-stabilized GaAs(001) surface with the ζ(4 × 2) reconstruction and halogens in a number of symmetric sites on the surface are calculated by the plane-wave projector augmented wave method. The energy barriers of halogen-atom diffusion on this surface are calculated, which allow determination of the most preferred paths of their migration. It is shown that there is a low barrier (0.17–0.23 eV) for the diffusion of all halogens under consideration (I, Br, Cl, F) along the surface gallium dimer, whereas the barrier is significantly higher for diffusion between adjacent gallium dimers. In general, the energy barriers for halogen diffusion in both directions ([110] and [1-10]) point to their high surface mobility, despite high binding energies at a number of surface adsorption sites.},
doi = {10.1134/S1063782616090049},
journal = {Semiconductors},
number = 9,
volume = 50,
place = {United States},
year = {Thu Sep 15 00:00:00 EDT 2016},
month = {Thu Sep 15 00:00:00 EDT 2016}
}