Thermodynamic and quasi-chemical modeling of point defects in CdTe〈I〉

Abstract

The carrier concentration and the densities of predominant point defects in CdTe〈I〉 crystals have been calculated as functions of two-step annealing parameters using quasi-chemical and thermodynamic modeling. We have identified the dominant native and impurity defect species, which govern the electrical properties of the material, and proposed a compensation model that takes into account not only native defects, ITe+ substitutional defects, and their complexes with native point defects, such as (VCd2−ITe+)−, and (VCd2−2ITe+)0, but also DX− centers. The equilibrium constants of formation of the VCd2−ITe+)−, defect complex and center have been evaluated.