Effects of interfacial atomic segregation and intermixing on the electronic properties of InAs/GaSb superlattices

Abrupt InAs/GaSb superlattices have In-Sb and Ga-As interfacial chemical bonds that are not present in the constituent materials InAs and GaSb. We study the effect of interfacial atomic mixing on the electronic structure of such superlattices, including electron and hole energies and wave function localization, interband transition energies, and dipole matrix elements. We combine an empirical pseudopotential method for describing the electronic structure with two different structural models of interfacial disorder. First, we use the "single-layer disorder" model and change in a continous way the composition of the interfacial bonds. Second, we study interfacial atomic segregation using a layer-by-layer kinetic model of molecular beam epitaxy growth, fit to the observed scanning tunneling microscopy segregation profiles. The growth model provides a detailed structural model of segregated InAs/GaSb superlattices with atomic resolution. The application of the empirical pseudopotential ...