Vibrational properties of Re2N and Re3N compounds

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404; Bogaz Ozisik, Havva -- 0000-0002-8886-9151
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorÖzışık Boğaz, Havva
dc.contributor.authorÇiftçi Öztekin, Yasemin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:27:19Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:27:19Z
dc.date.issued2011
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractUsing first-principles calculations, we have studied the structural, lattice dynamical and thermodynamical properties of the recently synthesized Re2N and Re3N compounds. The generalized gradient approximation is used to model exchange-correlation effects. The phonon dispersion curves are derived using the direct method. The calculated equilibrium lattice parameters are in overall agreement with the available experimental and theoretical results. The present phonon dispersion results show that both compounds are dynamically stable for the structures considered. The temperature-dependent behavior of thermodynamical properties, such as free energy, entropy, heat capacity, and internal energy, is also presented.
dc.identifier.doi10.1016/j.ssc.2011.05.028
dc.identifier.endpage1127en_US
dc.identifier.issn0038-1098
dc.identifier.issue17en_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage1122en_US
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2011.05.028
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5839
dc.identifier.volume151en_US
dc.identifier.wosWOS:000293940400005
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd.
dc.relation.ispartofSolid State Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectPhonons
dc.subjectThermodynamic Properties
dc.subjectHeat Capacity
dc.titleVibrational properties of Re2N and Re3N compounds
dc.typeArticle

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