Please use this identifier to cite or link to this item: http://elar.urfu.ru/handle/10995/27549
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dc.contributor.authorKislov, A. N.en
dc.contributor.authorZatsepin, A. F.en
dc.date.accessioned2014-11-29T19:48:04Z-
dc.date.available2014-11-29T19:48:04Z-
dc.date.issued2013-
dc.identifier.citationKislov A. N. Vibrations induced by different charged oxygen vacancies in quartz-like GeO2 / A. N. Kislov, A. F. Zatsepin // Computational Materials Science. — 2013. — Vol. 74. — P. 12-16.en
dc.identifier.issn0927-0256-
dc.identifier.other1good_DOI
dc.identifier.other4eff6df0-5645-4846-83f9-9431b75c4f07pure_uuid
dc.identifier.otherhttp://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=84876111590m
dc.identifier.urihttp://elar.urfu.ru/handle/10995/27549-
dc.description.abstractWe have studied local configurations and vibrations of oxygen vacancies in different charged states in α-quartz GeO2 by computer simulation. First-principles potential of the Buckingham type has been used in calculations. The investigation of the lattice dynamics in defective crystal is performed using the phonon local density of states. The calculation of the densities of states is facilitated with Lanczos recursion. Frequencies of localized vibrations induced by oxygen vacancies are determined. © 2013 Elsevier B.V. All rights reserved.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.sourceComputational Materials Scienceen
dc.subjectΑ-QUARTZen
dc.subjectDEFECT STRUCTUREen
dc.subjectLOCALIZED VIBRATIONSen
dc.subjectOXYGEN VACANCIESen
dc.subjectCHARGED OXYGEN VACANCIESen
dc.subjectCHARGED STATEen
dc.subjectDENSITIES OF STATEen
dc.subjectLANCZOSen
dc.subjectLOCAL CONFIGURATIONSen
dc.subjectLOCAL DENSITY OF STATEen
dc.subjectLOCALIZED VIBRATIONSen
dc.subjectRECURSIONSen
dc.subjectCALCULATIONSen
dc.subjectCOMPUTER SIMULATIONen
dc.subjectCRYSTAL LATTICESen
dc.subjectDEFECT STRUCTURESen
dc.subjectQUARTZen
dc.subjectSOLIDSen
dc.subjectOXYGEN VACANCIESen
dc.titleVibrations induced by different charged oxygen vacancies in quartz-like GeO2en
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.typeinfo:eu-repo/semantics/articleen
dc.identifier.doi10.1016/j.commatsci.2013.03.024-
dc.identifier.scopus84876111590-
local.affiliationUral Federal University, 19 Mira St., Ekaterinburg 620002, Russian Federationen
local.contributor.employeeКислов Алексей Николаевичru
local.contributor.employeeЗацепин Анатолий Федоровичru
local.description.firstpage12-
local.description.lastpage16-
local.volume74-
dc.identifier.wos000321051700002-
local.contributor.departmentФизико-технологический институтru
local.identifier.pure922699-
local.identifier.eid2-s2.0-84876111590-
local.identifier.wosWOS:000321051700002-
Appears in Collections:Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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