The adsorption of the Ge monomer on the Si(I 0 0) surface is studied throug
h first principles calculations based on the density-functional theory. We
have observed that, for a given position of the monomer on the surface, the
re are many local minima which differ in the substrate local configuration
of the buckling of the silicon dimers. We show that this local configuratio
n may also play an important role for the diffusion of these ad-atoms. (C)
2001 Elsevier Science B.V. All rights reserved.