Publication:
Ab Initio and Raman Study of Medium Range Ordering in GeSe2 Glass

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dc.contributor.authorAkalın, Elif
dc.contributor.authorHolomb, R.
dc.contributor.authorMitsa, V.
dc.contributor.authorSichka, M.
dc.contributor.authorAKYÜZ, SEVİM
dc.contributor.authorID10127tr_TR
dc.contributor.authorID46357tr_TR
dc.date.accessioned2017-10-27T08:13:53Z
dc.date.available2017-10-27T08:13:53Z
dc.date.issued2013-08-01
dc.description.abstractHigh resolution Raman spectra of GeSe2 glass were measured and fitted using individual Gaussian components. The structural origin of the components were interpreted using the results of ab initio density functional theory calculations performed on GenSem nanoclusters (n = 2-6, 12; m = 6-9, 12, 14-16, 30) which represent the local structure of GeSe2 glass and on some "defect" GenSem clusters that are thought to be related to the inhomogeneity of the structure at the nanoscale. The calculated vibrational properties of GenSem nanoclusters and their couplings with the short- and medium-range order structure formations in GeSe2 glass are analyzed and discussed. (c) 2013 Elsevier B.V. All rights reserved.tr_TR
dc.identifier.issn0022-3093
dc.identifier.scopus2-s2.0-84878232409
dc.identifier.scopus2-s2.0-84878232409en
dc.identifier.urihttp://hdl.handle.net/11413/1785
dc.identifier.wos321539500008
dc.identifier.wos321539500008en
dc.language.isoen_UStr_TR
dc.publisherElsevier Science Bv, Po Box 211, 1000 Ae Amsterdam, Netherlandstr_TR
dc.relationJournal Of Non-Crystalline Solidstr_TR
dc.subjectAb Initiotr_TR
dc.subjectDFTtr_TR
dc.subjectfinite nanoclusterstr_TR
dc.subjectGeSe2 glasstr_TR
dc.subjectraman spectratr_TR
dc.subjectnonlinear-optical propertiestr_TR
dc.subjectchalcogenide glassestr_TR
dc.subjectcrystal-structuretr_TR
dc.subjectgermanium selenidetr_TR
dc.subjectamorphous-semiconductorstr_TR
dc.subjectmolecular-dynamicstr_TR
dc.subjectgexse1-x glassestr_TR
dc.subjectrandom networktr_TR
dc.subjectliquid gese2tr_TR
dc.subjectsonlu nanoklusterstr_TR
dc.subjectGeSe2 camtr_TR
dc.subjectraman spektrumutr_TR
dc.subjectdoğrusal olmayan optik özelliklertr_TR
dc.subjectkalsiyojenür camlarıtr_TR
dc.subjectkristal yapıtr_TR
dc.subjectgermanyum selenittr_TR
dc.subjectAmorf-yarıiletkentr_TR
dc.subjectmoleküler dinamiktr_TR
dc.subjectrasgele ağtr_TR
dc.titleAb Initio and Raman Study of Medium Range Ordering in GeSe2 Glasstr_TR
dc.typeArticle
dspace.entity.typePublication
local.indexed.atscopus
local.indexed.atwos
relation.isAuthorOfPublication70600e97-ae14-4ca5-b357-0fd647a25331
relation.isAuthorOfPublication.latestForDiscovery70600e97-ae14-4ca5-b357-0fd647a25331

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