Monte Carlo and molecular dynamics simulations were used to determine the adsorption sites, the barriers preventing site-to-site migration and the adsorption dynamics of a Si atom on a Si(100)-(2x1) surface. It was found that the barriers to diffusion were highly anisotropic and strongly favored migration along the dimer rows. The site population at early times was controlled by the shape of the potential energy surface and it differed from the equilibrium population which was controlled by the binding energy.

Adsorption and Diffusion Sites of a Si Atom on a Reconstructed Si(100)-(2 x 1) Surface. Z.Y.Zhang, Y.T.Lu, H.Metiu: Surface Science, 1991, 248[1-2], L250-4