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Inicio » Actividades I+D > Publicaciones 2001 > Diffusion pathways of Si ad-dimers on Si...
artículo con referato
"Diffusion pathways of Si ad-dimers on Si(001): a high temperature molecular dynamics study"
C.-C. Fu, M. Weissmann and A. Saúl
Surf. Sci. 481(1-3) (2001) 97-104
The diffusion of Si ad-dimers on Si(001) surfaces is simulated at 1300K with molecular dynamics using an environment-dependent tight-binding model for Si. Diffusion parallel to the dimer rows proceeds along the following pathways: One along the top of the dimer rows, without dissociation and with a low energy barrier; Two different ones along the trough, one of them in agreement with 0K calculations and the other activated at high temperature by means of a complex exchange mechanism involving the motion of surface atoms. Our simulation results suggest that dimers are the dominant diffusion species of Si on Si(001), up to very high temperatures, and that the diffusion mechanism consists principally of succesive rotations around an individual adatom binding site rather than a simple translation.
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