Molecular dynamics simulation of (100)InGaAs/GaAs strained-layer relaxation processes

Abstract

Molecular dynamics simulations on In 1− x Ga x As/GaAs(100) systems are performed showing the dynamics of threading dislocations in the overlayers and the formation of misfit dislocations at the heterojunction interface. The developed code, using a modified Tersoff potential, simulates the threading dislocation dynamics in the InGaAs overlayer, and also the formation of interface misfit dislocations. Values for critical thicknesses are predicted and the atomic structure of the dislocation cores are determined.