Interionic potentials and localized vibrations in Al2O3 crystals with vacancies

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 v...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2004-10, Vol.352 (1-4), p.172-178
Main Authors: Kislov, A.N., Mazurenko, V.G., Korzov, K.N., Kortov, V.S.
Format: Article
Language:English
Subjects:
Lattice dynamics
Localized modes
Point defects
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Summary: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.
ISSN:0921-4526
DOI:10.1016/j.physb.2004.07.007