Computation of Strain Distributions in Quantum Dot Nanostructures by Means of Atomistic Simulations

Strain distributions around Ge quantum dots embedded in a Si matrix are computed by means of classical molecular dynamics simulations using the molecular dynamics code IMD. The Tersoff potential is employed in order to model covalent bonds. Two crystal lattice structures are considered, the cubic and hexagonal diamond structure. The distributions of the planar strain are studied for a large number of system sizes and lattice misorientations. In a second part, the scaling of IMD is analyzed for different parallelization schemes and machine architectures.