Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/75343
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dc.contributor.authorKislov, A. N.en
dc.contributor.authorZatsepin, A. F.en
dc.date.accessioned2019-07-22T06:46:06Z-
dc.date.available2019-07-22T06:46:06Z-
dc.date.issued2018-
dc.identifier.citationKislov A. N. Atomic vibrations in alpha-quartz with silicon vacancies / A. N. Kislov, A. F. Zatsepin // IOP Conference Series: Materials Science and Engineering. — 2018. — Vol. 307. — Iss. 1. — 12043.en
dc.identifier.issn1757-8981-
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85043285138&doi=10.1088%2f1757-899X%2f307%2f1%2f012043&partnerID=40&md5=9f808062b1e3f990e53a4b74609c207am
dc.identifier.otherhttps://doi.org/10.1088/1757-899x/307/1/012043pdf
dc.identifier.urihttp://hdl.handle.net/10995/75343-
dc.description.abstractA study of atomic structures and localized symmetrized vibrations in α-quartz with silicon vacancies in different charge states is presented. This study is performed by computer modeling on the basis of the first-principle type potentials. The equilibrium structures are optimized by minimizing the lattice energy. The phonon symmetrized local densities of states are calculated by means of a recursion method. Moreover, frequencies of localized vibrations of A- and B-symmetries induced by silicon vacancies are determined. The results are discussed in comparative manner for the silicon vacancy in three charge states. © Published under licence by IOP Publishing Ltd.en
dc.description.sponsorshipThe work was supported by the Ministry of Education and Science of the Russian Federation (Government task № 3.1485.2017/4.6) and Act 211 of RF Government, contract № 02.A03.21.0006.en
dc.language.isoenen
dc.publisherInstitute of Physics Publishingen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceIOP Conference Series: Materials Science and Engineeringen
dc.subjectCOMPOSITE MATERIALSen
dc.subjectQUARTZen
dc.subjectSILICONen
dc.subjectVACANCIESen
dc.subjectATOMIC VIBRATIONen
dc.subjectCOMPUTER MODELINGen
dc.subjectEQUILIBRIUM STRUCTURESen
dc.subjectFIRST PRINCIPLESen
dc.subjectLATTICE ENERGIESen
dc.subjectLOCAL DENSITYen
dc.subjectRECURSION METHODSen
dc.subjectSILICON VACANCIESen
dc.subjectCRYSTAL ATOMIC STRUCTUREen
dc.titleAtomic vibrations in alpha-quartz with silicon vacanciesen
dc.typeConference paperen
dc.typeinfo:eu-repo/semantics/conferenceObjecten
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.conference.name2017 International Conference on Mechanical Engineering and Applied Composite Materials, MEACM 2017en
dc.conference.date23 November 2017 through 24 November 2017-
dc.identifier.doi10.1088/1757-899X/307/1/012043-
dc.identifier.scopus85043285138-
local.affiliationUral Federal University, 19 Mira Street, Ekaterinburg, 620002, Russian Federationen
local.contributor.employeeКислов Алексей Николаевичru
local.contributor.employeeЗацепин Анатолий Федоровичru
local.issue1-
local.volume307-
dc.identifier.wosWOS:000446174600043-
local.identifier.pure7034152-
local.description.order12043-
local.identifier.eid2-s2.0-85043285138-
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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