Atomistic simulation of a 60 degrees shuffle dislocation segment migrating in a Ge/SiGe(001) epitaxial film

We show that the migration process of a 60 degrees shuffle dislocation in an heteroepitaxial Ge/Si0.5Ge0.5(001) system can be analysed by classical molecular dynamics simulations. By following the misfit segment during its motion, we build a sequence of strain maps giving detailed information about the elastic-energy relaxation in the film. The atomic-scale mechanisms underlying the dislocation motion towards the interface are also monitored, showing, for instance, that kinks are actually present along the dislocation line.