Anion antisite defects in GaAs and GaP

Abstract

The electronic properties of anion antisite defects and the related ideal cation vacancies are calculated based on tight-binding Hamiltonians and using a novel recursion method. For the antisite defects symmetric A 1 states are found in the upper part of the fundamental gaps, and for the ideal vacancies T 2 states are found in the lower part of the gaps. These results for antisite defects compare favorably with recent ESR experiments.