COMPUTER-SIMULATION OF STRAIN-INDUCED DIFFUSION ENHANCEMENT OF SI ADATOMS ON THE SI(001) SURFACE

A computer simulation study of the effect of strain on the diffusion o f single Si adatoms on a Si(001)(2 x 1) surface has been performed. Th e Stillinger-Weber potential was used to simulate the interatomic inte ractions of the atoms. Five layers of atoms were included in the simul ation with the three top layers of the Si surface free to reconstruct, leading to surface dimers, and the remaining two layers fixed in the bulk positions. The potential energy map and energy barriers were exam ined at 0%, 1% and 1.5% strain with the strain applied perpendicular t o the dimer rows. The results indicate that diffusion enhancement alon g the dimer rows may be achieved by strain.