We use Monte Carlo and molecular dynamics simulations to determine the adsorption sites, the barriers preventing site to site migration, and the dynamics of adsorption for a Si atom on a Si(100)-(2 × 1) surface. We find that the barriers to diffusion are highly anisotropic and strongly favor migration along the dimer rows. The site population at early times is controlled by the shape of the potential energy surface and it differs from the equilibrium population which is controlled by the binding energy.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry