Growth Properties of the Si(100) Steps: A Molecular Dynamics Study

Abstract

ABSTRACTWe have mapped out the energy surfaces seen by a single silicon adatom over the Si(100) surface and Si(100) steps, using Molecular Dynamics methods. This identifies the most likely binding sites as well as the activation energies for diffusion over the terraces and steps. We find that only the 5e step with no rebonded atoms is a good sink for adatoms - the SA, rebonded Sb and Db steps are weak sinks. Because of a higher density of binding sites and lower activation energies for surface diffusion along die step edge, we expect mat growth at the Sb and Db steps take place much more readily man at the SA step.