Diffusion constant of ga, in and as adatoms on gaas (001) surface: molecular dynamics calculations

A valence force field to reproduce both the phonon dispersion curves of crystalline GaAs and first principle derived interaction energies of Ga, In and As adatoms on GaAs (001) surface has been optimized. Calculations of diffusion constant of Ga, In and As atoms on the GaAs surface have been perform...

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Bibliographic Details
Published in:Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 1996-02, Vol.37 (1), p.135-138
Main Authors: Palma, A., Semprini, E., Talamo, A., Tomassini, N.
Format: Article
Language:English
Subjects:
Gallium arsenide
Surface diffusion
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Summary:A valence force field to reproduce both the phonon dispersion curves of crystalline GaAs and first principle derived interaction energies of Ga, In and As adatoms on GaAs (001) surface has been optimized. Calculations of diffusion constant of Ga, In and As atoms on the GaAs surface have been performed by molecular dynamics classical trajectory simulations.
ISSN:0921-5107
1873-4944
DOI:10.1016/0921-5107(95)01471-3