Equilibrium native defect densities were calculated by using ab initio methods, and were compared with experimental results. It was found that this material was highly compensated p-type under Te-saturated conditions, with the Cd vacancy being the dominant acceptor and the Te antisite being the compensating donor. This was in agreement with experiments that indicated a much larger deviation from stoichiometry than would be explained by electrically active defects. Under Cd-saturated conditions, Cd interstitials were predicted to dominate and the material was found to be n-type.

Annealing conditions for intrinsic CdTe M.A.Berding: Applied Physics Letters, 1999, 74[4], 552-4