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dc.contributor.authorArikan, Nihat
dc.contributor.authorOzduran, Mustafa
dc.contributor.editorSimos, TE
dc.contributor.editorKalogiratou, Z
dc.contributor.editorMonovasilis, T
dc.date.accessioned2019-11-24T20:35:46Z
dc.date.available2019-11-24T20:35:46Z
dc.date.issued2014
dc.identifier.isbn9.78074E+12
dc.identifier.issn0094-243X
dc.identifier.urihttps://dx.doi.org/10.1063/1.4897709
dc.identifier.urihttps://hdl.handle.net/20.500.12513/1972
dc.descriptionInternational Conference of Computational Methods in Sciences and Engineering 2014 (ICCMSE) -- APR 04-07, 2014 -- Athens, GREECEen_US
dc.descriptionWOS: 000346015200042en_US
dc.description.abstractThe structural, electronic and dynamic properties of the cubic Co3Ti alloy in L1(2) structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed by Perdew-Burke-Ernzerhof (GGA-PBE). The structural properties, including the lattice constant, the bulk modulus and its pressure derivative agree reasonably with the previous results. The density of state (DOS), projected density of state (PDOS) and electronic band structure are also reported. The DOS shows that Co3Ti alloy has a metallic character since the energy bands cross the Fermi level. The density of states at Fermi level mainly comes from the Co-3d states. Phonon dispersion curves and their corresponding total densities of states were obtained using a linear response in the framework of the density functional perturbation theory. All computed phonon frequencies are no imaginer and thus, Co3Ti alloy is dynamically stable. The zone center phonon modes have been founded to be 9.307, 9.626 and 13.891 THz for Co3Ti.en_US
dc.description.sponsorshipEuropean Soc Computat Methods Sci Engn & Technolen_US
dc.description.sponsorshipAhi Evran University Research [YO-J.4010 14.001]en_US
dc.description.sponsorshipThis work was supported by Ahi Evran University Research Project Unit under YO-J.4010 14.001.en_US
dc.language.isoengen_US
dc.publisherAMER INST PHYSICSen_US
dc.relation.ispartofseriesAIP Conference Proceedings
dc.relation.isversionof10.1063/1.4897709en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDensity functional theoryen_US
dc.subjectelectronic structureen_US
dc.subjectintermetallic compounden_US
dc.subjectphononen_US
dc.titleThe Structural, Electronic and Dynamic Properties of the L1(2)-type Co3Ti Alloyen_US
dc.typeconferenceObjecten_US
dc.relation.journalINTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014)en_US
dc.contributor.departmentKırşehir Ahi Evran Üniversitesi, Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümüen_US
dc.identifier.volume1618en_US
dc.identifier.startpage174en_US
dc.identifier.endpage177en_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US


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