Moroccan Journal of Condensed Matter, Vol 5, No 1 (2004)

THEORETICAL INVESTIGATION OF THE LEVEL ENERGIES FOR IDEAL Ga AND As VACANCIES IN GaAs

Z. El Achheb, A. Hourmatallah, M. Barnoussi, N. Benzakour, A. Jorio

Abstract


The bound state energies of ideal Ga and As vacancies in GaAs have been studied in the Green’s-function framework in conjunction the tight-binding method. Using existing data for band structures, the Koster-Slater parameters have been estimated, the energy levels at critical points and the density of states in perturbed and unperturbed crystal have been calculated. The unrelaxed vacancy of Ga and As introduces bound state at 0.05 eV and 1.46 eV respectively above the valence band edge. These results provide justification to experimental data based on irradiation of GaAs by energetic neutrons.