Si/Ge (111) semicoherent interfaces: Responses to an in-plane shear and interactions with lattice dislocations

https://doi.org/10.1002/pssb.202000274

Abstract

Concurrent atomistic–continuum simulations are employed to study Si/Ge (111) semicoherent interfaces in terms of their responses to an in‐plane shear and interactions with lattice dislocations. Three types of Si/Ge interfaces, differing in interfacial structures and energy, are considered. Type I interface coincides with the shuffle‐set slip plane and contains a hexagonal network of edge dislocations. Type II and Type III interfaces both coincide with the glide‐set slip plane, yet they contain, respectively, a triangular and a hexagonal network of Shockley partial dislocations. The simulations show that among the three types of interfaces, 1) Type I interface is the least stable subject to an in‐plane shear and 2) Type III interface impedes the gliding of lattice dislocations the most significantly.