Experimental data on Cl diffusion had revealed that the main mechanism for diffusion in this material involved neutral defect pairs such as [VCdVTe]*. Here, theoretical calculations were performed for all of the possible mechanisms, such as: single vacancy, single interstitial, neutral defect pair and Frenkel defect pair. The results suggested that the most probable mechanism for Cl diffusion was one which involved neutral defect pairs; in agreement with experiment.

K.Sadaiyandi, K.Ramachandran: Physica Status Solidi B, 1991, 165[2], 327-33