Simulation of self-diffusion on silicon surface using stillinger-weber potential

Abstract

The self-diffusion of tetrahedrally bonded materials on different surfaces, (100), (110) and (111) is studied by means of molecular dynamics simulation. We use the Stillinger-Weber three-body potential as the only interaction between atoms. The results are compared with experimental measurements and other simulations studies. They indicate that the Stillinger-Weber potential may have to be modified near the surface. Our results indicate that dimer diffusion in silicon may be comparable to single-adatom diffusion.