Configurations and local vibrations of differently charged oxygen vacancies in quartz crystal / Kislov A. N.,Toropov M. O.,Zatsepin A. F. // JOURNAL OF NON-CRYSTALLINE SOLIDS. - 2011. - V. 357, l. 8-9, SI. - P. 1912-1915.

ISSN/EISSN:

0022-3093 / нет данных

Type:

Article

Abstract:

We have studied local configurations and vibration states of oxygen vacancies in different charge states in alpha-quartz. The local atomic structure and the lattice dynamics have been simulated using first-principles potentials of the Buckingham type. The effect of defects on the vibration spectrum of a-quartz has been studied by calculating the local densities of vibrational states. (C) 2010 Elsevier B.V. All rights reserved.

Author keywords:

Quartz; Oxygen vacancy; Phonon spectra; Defect structure; Local vibrations ALPHA-QUARTZ; SIO2

DOI:

10.1016/j.jnoncrysol.2010.11.1

Web of Science ID:

ISI:000293602900019

Соавторы в МНС:

Другие поля

Поле	Значение
Month	APR 15
Publisher	ELSEVIER SCIENCE BV
Address	PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Language	English
Keywords-Plus	ALPHA-QUARTZ; SIO2
Research-Areas	Materials Science
Web-of-Science-Categories	Materials Science, Ceramics; Materials Science, Multidisciplinary
Author-Email	zats@dpt.ustu.ru
ResearcherID-Numbers	Zatsepin, Anatoly/L-7335-2016
ORCID-Numbers	Zatsepin, Anatoly/0000-0001-9539-2403
Funding-Acknowledgement	Russian Foundation for Basic Research {[}11-02-00939]
Funding-Text	This work was supported by the Russian Foundation for Basic Research (project no. 11-02-00939).
Number-of-Cited-References	12
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	7
Journal-ISO	J. Non-Cryst. Solids
Doc-Delivery-Number	803TA