A computer simulation study was made of the effect of strain upon the diffusion of single Si adatoms on an (001)(2 x 1) surface. A Stillinger-Weber potential was used to simulate the interatomic interactions. Five layers of atoms were included in the simulation, with the top 3 layers of the Si surface being free to reconstruct (leading to surface dimers), while the remaining 2 layers were fixed in bulk positions. The potential energy map and energy barriers were determined for 0, 1 and 1.5% strain; with the strain being applied perpendicular to the dimer rows. The results indicated that diffusion enhancement along the dimer rows could be produced by strain.

H.Spjut, D.A.Faux: Surface Science, 1994, 306[1-2], 233-9