Large-scale atomistic simulations of atomic displacements, stresses, and strains in nanoscale mesas: Effect of mesa edges, corners, and interfaces

The atomic displacements, stresses, and strains in the Stillinger-Weber model of nanoscale silicon bare and germanium overlayer covered mesas using large-scale atomistic simulations. The relaxation in the mesa interior and deep into the substrate was observed for germanium overlayered mesa. The relationship between the off-diagonal components of the stress and strain tensors was found to become non-linear in the vicinity of the mesa edges for both bare and covered mesas.