The lattice dynamics of an α-Al2O3 crystal with vacancies in various charge states was simulated by using the recursive method in the shell model. The frequencies of resonant vibrations induced by defects in various directions were calculated. Characteristic features in vibrational spectra of anion-nonstoichiometric α-Al2O3 crystals, mostly associated with changes in the effective interaction between vacancies and the nearest neighbor atoms, were analyzed and explained.

Lattice Dynamics of Corundum Crystals with Vacancies in Various Charge States. A.N.Kislov, V.G.Mazurenko, K.N.Korzov, V.S.Kortov: Physics of the Solid State, 2003, 45[9], 1780-3