Cationic Frenkel defects, Schottky defects and bound vacancy pairs were modelled by using the extended polarizable point ion method. The results suggested that a significant role was played by Schottky defects in determining the excess high-temperature conductivity, and that bound vacancy pairs also played an important part in mediating anion self-diffusion.
R.D.Banhatti, Y.V.G.S.Murti: Radiation Effects and Defects in Solids, 1995, 134, 157-9