Empirical parameters of interionic interactions in α-Al2O3 crystals were determined in terms of the shell model. The lattice dynamics of α-Al2O3 crystals with vacancies in different charge states was simulated using these parameters and the recursive method. Frequencies of defect-induced resonance vibrations in different directions were determined. Main features specific to vibration spectra of anion-nonstoichiometric α-Al2O3 crystals, which were due basically to changes in the effective force of interaction between vacancies and the nearest environment, were analyzed and explained.

Interionic Potentials and Localized Vibrations in Al2O3 Crystals with Vacancies. A.N.Kislov, V.G.Mazurenko, K.N.Korzov, V.S.Kortov: Physica B, 2004, 352[1-4], 172-8