Structural and mechanical stability of rare-earth diborides

dc.authoridOZISIK, HACI -- 0000-0002-4011-1720; SURUCU, Gokhan -- 0000-0002-3910-8575; Colakoglu, Kemal -- 0000-0003-4108-2404
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorSürücü, Gökhan
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:26:22Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:26:22Z
dc.date.issued2013
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractStructural and mechanical properties of several rare-earth diborides were systematically investigated by first principles calculations. Specifically, we studied XB2, where X = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Lu in the hexagonal AlB2, ReB2, and orthorhombic OsB2-type structures. The lattice parameters, bulk modulus, bond distances, second order elastic constants, and related polycrystalline elastic moduli (e. g., shear modulus, Young's modulus, Poisson's ratio, Debye temperature, sound velocities) were calculated. Our results indicate that these compounds are mechanically stable in the considered structures, and according to "Chen's method", the predicted Vickers hardness shows that they are hard materials in AlB2- and OsB2-type structures.
dc.identifier.doi10.1088/1674-1056/22/4/046202
dc.identifier.issn1674-1056
dc.identifier.issn1741-4199
dc.identifier.issue4en_US
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1088/1674-1056/22/4/046202
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5559
dc.identifier.volume22en_US
dc.identifier.wosWOS:000317123600059
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIOP Publishing
dc.relation.ispartofCHINESE PHYSICS B
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAb Initio Calculations
dc.subjectElastic Properties
dc.subjectHardness
dc.subjectRare-earth Diborides
dc.titleStructural and mechanical stability of rare-earth diborides
dc.typeArticle

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