Intrinsic defect processes were compared in an extensive range of A3+B3+O3 compounds where the A-cation radii ranged from Sc3+ to La3+ and the B-cation radii ranged from Al3+ to In3+. Cross-overs between cation antisite, Schottky and O Frenkel disorder were predicted as a function of cation radius. The radiation tolerance of the compounds was considered in terms of their relative defect process energies. It was expected that there would be a wide variation in radiation tolerance. Only a limited compositional range, involving the bixbyite structure, was expected to exhibit the high tolerance observed in materials having fluorite and fluorite-related structures. Materials having rhombohedral or orthorhombic perovskite structures were significantly less tolerant.
Disorder Processes in A3+B3+O3 Compounds - Implications for Radiation Tolerance. M.R.Levy, R.W.Grimes, K.E.Sickafus: Philosophical Magazine, 2004, 84[6], 533-45