Interstitial-oxygen induced localized vibrational properties in alpha-quartz / Kislov A. N.,Zatsepin A. F. // JOURNAL OF NON-CRYSTALLINE SOLIDS. - 2013. - V. 362, l. . - P. 69-72.

ISSN/EISSN:

0022-3093 / нет данных

Type:

Article

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. (C) 2012 Elsevier B.V. All rights reserved.

Author keywords:

Quartz; Oxygen interstitials; Defect structure; Localized vibrations LATTICE-DYNAMICS; X-RAY; CRYSTALS; SPECTRA; MODEL

DOI:

10.1016/j.jnoncrysol.2012.11.0

Web of Science ID:

ISI:000315935500012

Соавторы в МНС:

Другие поля

Поле	Значение
Month	FEB 15
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
Keywords-Plus	LATTICE-DYNAMICS; X-RAY; CRYSTALS; SPECTRA; MODEL
Research-Areas	Materials Science
Web-of-Science-Categories	Materials Science, Ceramics; Materials Science, Multidisciplinary
Author-Email	a.n.kislov@ustu.ru a.f.zatsepin@ustu.ru
ResearcherID-Numbers	Zatsepin, Anatoly/L-7335-2016
ORCID-Numbers	Zatsepin, Anatoly/0000-0001-9539-2403
Number-of-Cited-References	21
Usage-Count-Since-2013	9
Journal-ISO	J. Non-Cryst. Solids
Doc-Delivery-Number	103RB