A. Palma et al., DIFFUSION CONSTANT OF GA, IN AND AS ADATOMS ON GAAS(001) SURFACE - MOLECULAR-DYNAMICS CALCULATIONS, Materials science & engineering. B, Solid-state materials for advanced technology, 37(1-3), 1996, pp. 135-138
A valence force field to reproduce both the phonon dispersion curves o
f crystalline GaAs and first principle derived interaction energies of
Ga, In and As adatoms on GaAs (001) surface has been optimized. Calcu
lations of diffusion constant of Ga, In and As atoms on the GaAs surfa
ce have been performed by molecular dynamics classical trajectory simu
lations.