Interionic potentials and localized vibrations in Al2O3 crystals with vacancies

• DOI: 10.1016/j.physb.2004.07.007
• Publication Date: 2004-10-13T17:53:41Z
• Authors: A.N. Kislov; V.G. Mazurenko; K.N. Korzov; V.S. Kortov
• Keywords: Lattice vibration; Lattice (music)

Abstract Empirical parameters of interionic interactions in α-Al 2 O 3 crystals were determined in terms of the shell model. The lattice dynamics of α-Al 2 O 3 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-Al 2 O 3 crystals, which were due basically to changes in the effective force of interaction between vacancies and the nearest environment, were analyzed and explained.