Structural, electronic and mechanical properties of W1-xTcxB2 alloys

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404; SURUCU, Gokhan -- 0000-0002-3910-8575;
dc.contributor.authorSürücü, Gökhan
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇiftçi, Yasemin Öztekin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:15:01Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:15:01Z
dc.date.issued2013
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractA detailed theoretical study of the structural, elastic and electronic properties of W1-xTcxB2 (x=0.1 similar to 0.9) alloys is carried out by using the plane-wave pseudopotential approach to the density-functional theory within the generalized gradient approximation (GGA). The most stable structure is found as W0.9Tc0.1B2 due to the lowest formation energy value and Band filling theory. Furthermore, the band structural and density of states (DOS) are computed for each composition x (0.1 similar to 0.9). The elastic constants of W1-xTcxB2 for all x composition are obtained, then the secondary results such as bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and hardness of polycrystalline aggregates are derived, and the relevant mechanical properties are also discussed. Moreover, we have predicted that W0.9Tc0.1B2 alloy is potential superhard material.
dc.description.sponsorshipTurkish Prime Ministry State Planning Agency [2011K120290]
dc.description.sponsorshipThis work was supported by the Turkish Prime Ministry State Planning Agency under Projects no. 2011K120290.
dc.identifier.doi10.1016/j.ssc.2013.07.002
dc.identifier.endpage4en_US
dc.identifier.issn0038-1098
dc.identifier.issn1879-2766
dc.identifier.scopusqualityQ2
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1016/j.ssc.2013.07.002
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4255
dc.identifier.volume171en_US
dc.identifier.wosWOS:000326136200001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherPergamon-Elsevier Science
dc.relation.ispartofSolid State Sciences
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectDisordered Systems
dc.subjectElasticity
dc.subjectElectronic Band Structure
dc.subjectMechanical Properties
dc.titleStructural, electronic and mechanical properties of W1-xTcxB2 alloys
dc.typeArticle

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