Phonon dispersion and thermodynamical properties in ZrB2, NbB2, and MoB2

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404;
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, K.
dc.contributor.authorÇiftçi, Y. O.
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:26:28Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:26:28Z
dc.date.issued2010
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractThe structural and lattice dynamical calculations are performed on ZrB2, NbB2, and MoB2 compounds using the first-principles of total energy calculations. Generalized gradient approximations (GGA) are used to model exchange-correlation effects. Structural results of these calculations are consistent with past experimental data and other theoretical findings. Our lattice dynamical results regarding phonon dispersion curves and temperature-dependent behavior of thermodynamical properties (entropy, heat capacity, internal energy, and free energy) contribute to the existing literature on these compounds. (C) 2009 Elsevier Ltd. All rights reserved.
dc.description.sponsorshipGazi University Research-Project Unit [05/2009-55]
dc.description.sponsorshipThis work is supported by Gazi University Research-Project Unit under Project No: 05/2009-55.
dc.identifier.doi10.1016/j.ssc.2009.11.045
dc.identifier.endpage410en_US
dc.identifier.issn0038-1098
dc.identifier.issue09.Octen_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage405en_US
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2009.11.045
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5603
dc.identifier.volume150en_US
dc.identifier.wosWOS:000275520000006
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofSolid State Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectHeat Capacity
dc.subjectPhonons
dc.subjectThermodynamic Properties
dc.titlePhonon dispersion and thermodynamical properties in ZrB2, NbB2, and MoB2
dc.typeArticle

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