Lattice dynamics of corundum crystals with vacancies in various charge states

Lattice dynamics of corundum crystals with vacancies in various charge states

The lattice dynamics of an α-Al2O3 crystal with vacancies in various charge states is simulated using the recursive method in the shell model. The frequencies of resonant vibrations induced by defects in various directions are calculated. Characteristic features in vibrational spectra of anion-nonst...

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Veröffentlicht in:Physics of the solid state 2003-09, Vol.45 (9), p.1780-1783
Hauptverfasser: Kislov, A. N., Mazurenko, V. G., Korzov, K. N., Kortov, V. S.
Format: Artikel
Sprache:eng
Schlagworte:
Aluminum oxide
Corundum
Crystal defects
Crystal lattices
Ions
Lattice vacancies
Recursive methods
Vibrational spectra
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Zusammenfassung:The lattice dynamics of an α-Al2O3 crystal with vacancies in various charge states is simulated using the recursive method in the shell model. The frequencies of resonant vibrations induced by defects in various directions are 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, are analyzed and explained.
ISSN:1063-7834
1090-6460
DOI:10.1134/1.1611251