Systematic study on the anisotropic elastic properties of tetragonal XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds

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dc.contributor.authorÖzyar, Ümit Fuat
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, Kemal
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:26:37Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:26:37Z
dc.date.issued2015
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractThe anisotropic elastic properties of XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds have been investigated by using first-principles calculations based on density functional theory. The calculated lattice parameters are in excellent agreement with the available experimental data. The computed elastic constants indicate that all compounds are mechanically stable according to the elastic stability criteria under pressure. We have calculated the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, Debye temperature, and anisotropy value from the obtained elastic constants according to the Voigt-Reuss-Hill approximation. Additionally, the ductility and brittleness are characterized with the estimation from Pugh's rule (B/G) and Poisson's ratio. Furthermore, the elastic anisotropy have been visualized in detail by plotting the directional dependence of compressibility, Young's and shear moduli. (C) 2015 Elsevier Masson SAS. All rights reserved.
dc.description.sponsorshipAksaray University Research [2013-58]
dc.description.sponsorshipThis work is supported by Aksaray University Research- Project unit under Project No: 2013-58. The numerical calculations reported here were partially performed at Aksaray University, Science and Technology Application and Research Center.
dc.identifier.doi10.1016/j.solidstatesciences.2015.01.001
dc.identifier.endpage100en_US
dc.identifier.issn1293-2558
dc.identifier.issn1873-3085
dc.identifier.scopusqualityQ1
dc.identifier.startpage92en_US
dc.identifier.urihttps://doi.org/10.1016/j.solidstatesciences.2015.01.001
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5659
dc.identifier.volume40en_US
dc.identifier.wosWOS:000349449900015
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.ispartofSolid State Sciences
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectAnisotropic Elastic Properties
dc.subjectAb Initio Calculations
dc.titleSystematic study on the anisotropic elastic properties of tetragonal XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds
dc.typeArticle

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