Theoretical study of the role of natural intralayers in the band offsets of InAs/GaSb heterojunction

We present a theoretical study of the role of the natural intralayers on the atomic and electronic properties of the InAs/GaAs heterojunctions. Using first principles total energy calculations based on the density functional theory we analyze the role of the natural GaAs and InSb intralayers on the band offset control. We show how the chemical and geometrical composition of the intralayers can modify the band discontinuity, providing a mechanism for band offset engineering.