Defect engineering in CdTe, based on the total energies of elementary defects

This paper presents data on experimentally and theoretically deduced total energies and energy level positions in the band-gap for eight elementary defects in CdTe. Based on these data, the total energy dependence on the Fermi-level position in the band-gap is graphically analysed. Two types of defect reactions, which are responsible for cadmium vacancy (V-Cd) creation and transformation, are discussed. It is shown that the most probable candidate for the native deep-level donor is a tellurium antisite. (C) 2001 Elsevier Science B.V. All rights reserved.