Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/27186
Title: Interstitial-oxygen induced localized vibrational properties in alpha-quartz
Authors: Kislov, A. N.
Zatsepin, A. F.
Issue Date: 2013
Citation: Kislov A. N. Interstitial-oxygen induced localized vibrational properties in alpha-quartz / A. N. Kislov, A. F. Zatsepin // Journal of Non-Crystalline Solids. — 2013. — Vol. 362. — № 1. — P. 69-72.
Abstract: Local configurations and localized vibrations of oxygen interstitials in different charged states in alpha-quartz are investigated by computer calculations. First-principle potentials of the Buckingham type have been used in numerical modeling. The study of the lattice dynamics in defective crystal is performed using the phonon local density of states. Frequencies of localized vibrations induced by oxygen interstitials are determined. It is shown that the atomic configuration, type, number and frequency of localized vibrations depend on the sign and magnitude of the interstitial atom charge. © 2012 Elsevier B.V.
Keywords: DEFECT STRUCTURE
LOCALIZED VIBRATIONS
OXYGEN INTERSTITIALS
QUARTZ
ATOMIC CONFIGURATION
CHARGED STATE
COMPUTER CALCULATION
INTERSTITIAL ATOMS
INTERSTITIALS
LOCAL CONFIGURATIONS
LOCAL DENSITY OF STATE
LOCALIZED VIBRATIONS
VIBRATIONAL PROPERTIES
CRYSTAL LATTICES
DEFECT STRUCTURES
QUARTZ
SOLIDS
OXYGEN
URI: http://hdl.handle.net/10995/27186
SCOPUS ID: 84871803388
WOS ID: 000315935500012
PURE ID: 900543
ISSN: 0022-3093
DOI: 10.1016/j.jnoncrysol.2012.11.031
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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