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dc.contributor.authorArikan, Nihat
dc.contributor.authorBayhan, Ulku
dc.date.accessioned2019-11-24T20:35:38Z
dc.date.available2019-11-24T20:35:38Z
dc.date.issued2012
dc.identifier.issn0038-1098
dc.identifier.issn1879-2766
dc.identifier.urihttps://dx.doi.org/10.1016/j.ssc.2012.02.009
dc.identifier.urihttps://hdl.handle.net/20.500.12513/1926
dc.descriptionWOS: 000303622200016en_US
dc.description.abstractThe structural, electronic, and phonon properties of AgMg and AgZn in the cesium-chloride phase have been investigated using the density functional theory (DFT) within the local density approximation (LDA). The calculated ground state properties such as lattice constant and bulk modulus agree well with the previous theoretical calculations. The electronic band structure is also presented for AgMg and AgZn. The calculated DOS at the Fermi energy are 0.49states/eV cell for AgMg and 0.43states/eV cell for AgZn. A linear-response approach to the density functional theory is used to derive phonon dispersion curves and the total and partial density of states for AgMg and AgZn. The high-frequency region of AgMg is mainly due to the vibrations of Mg atoms. (C) 2012 Elsevier Ltd. All rights reserved.en_US
dc.language.isoengen_US
dc.publisherPERGAMON-ELSEVIER SCIENCE LTDen_US
dc.relation.isversionof10.1016/j.ssc.2012.02.009en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectIntermetallicen_US
dc.subjectElectronic band structureen_US
dc.subjectPhononsen_US
dc.titleFirst-principles study of electronic and dynamic properties of AgMg and AgZnen_US
dc.typearticleen_US
dc.relation.journalSOLID STATE COMMUNICATIONSen_US
dc.contributor.departmentKırşehir Ahi Evran Üniversitesi, Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümüen_US
dc.identifier.volume152en_US
dc.identifier.issue10en_US
dc.identifier.startpage891en_US
dc.identifier.endpage893en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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