Mechanical and Vibrational Properties of ?- and ?-MgAl2Ge2 compound: Ab-initio study

dc.contributor.authorÖzışık, Hacı
dc.contributor.authorBoğaz Özışık, Havva
dc.contributor.authorDeligöz, Engin
dc.date.accessioned2023-12-19T06:08:20Z
dc.date.available2023-12-19T06:08:20Z
dc.date.issued2018
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractMgAl2Ge2 compound is in the hexagonal P63/mmc (?) and trigonal P-3m1 (?) structures. We have been used strass-strain method to predict the second order elastic constants (Cij) and perturbation theory for the vibrational properties of the titled compound within the density functional theory. Our results showed that the compound is satisfy mechanical stability for ?-structure confirmed by vibrational calculations. The polycrystalline aggregate behavior estimated using the Cij for mechanically stable ?-phase. They are all good agreement with available experimental theoretical data. The calculated phonon dispersion and phonon density of states are also given and discussed.
dc.identifier.endpage70en_US
dc.identifier.startpage67en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12451/11347
dc.language.isoen
dc.publisher(WITAM-2018)
dc.relation.ispartofCongress on The World of Technology and Advanced Materials (WITAM-2018)
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectMechanical and Vibrational Properties
dc.titleMechanical and Vibrational Properties of ?- and ?-MgAl2Ge2 compound: Ab-initio study
dc.typeConference Object

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