A new method for calculating non-ideal point defect induced electronic structure: Application to GaAs1−xPx:O1

We report a new method for calculating non-ideal defect induced electronic structure in crystalline semiconductors. The method is based upon solving the Dyson equation using the transfer matrix technique. The method allows us to include realistic distortions around defects (impurities, vacancies, etc.) in solving for the electronic structure. Results are presented for the system GaAs_1?xP_x:O in which oxygen replaces the anion. Several different distortions are considered and the results are found to agree remarkably well with experiments.