Antisite defect in GaAs and at the GaAs–AlAs interface

Abstract

Calculations are performed of the local densities of states for the As antisite defect and for the ideal Ga vacancy in GaAs, of the changes in their electronic properties near an ideal (100) GaAs–AlAs interface, and of the total interaction energy of these defects with the interface. The calculations were made using a novel recursion approach and are based on tight binding Hamiltonians.