Absolute deformation potentials and robust ab initio model for band shifts induced by (001) biaxial strain in group IIIA-VA semiconductors

Abstract

A model for the evolution of conduction and valence bands of IIIA-VA (InAs, GaAs, and InP) semiconductors under (001) biaxial strain is developed. The model is based on the ab initio calculations which take into account finite strain dependent relaxation of the reference levels. The results of ab initio full potential calculations of absolute deformation potentials (ADPs) and (001) biaxial strain-modified band edges are reported. It is shown that in type I heterostructures subjected to (001) compressive biaxial strain, the corrections due to nonzero ADP of the core reference levels reduce the strained band offset for holes.