ABSTRACT
Using ab initio molecular dynamics approach we study the kinetics of Sb/Si(001) system. We first generate a double layer step on Si(001) surface which emulates the {311} facet and show how the diffusion barrier varies with the introduction of Sb surfactant near the step edge. We find that the surfactant significantly enhances the diffusion by reducing the potential barrier near the step edge such that the island formation is severely suppressed and thus the layer-by-layer growth mode is enhanced.
