Mechanical and phonon properties of the superhard LuB2, LuB4, and LuB12 compounds

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dc.authoridOZISIK, HACI -- 0000-0002-4011-1720; Colakoglu, Kemal -- 0000-0003-4108-2404; SURUCU, Gokhan -- 0000-0002-3910-8575;
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÖzışık, Hacı
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorSürücü, Gökhan
dc.contributor.authorÇiftçi, Yasemin Öztekin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:26:24Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:26:24Z
dc.date.issued2011
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractWe have studied structural, elastic, and lattice dynamical properties of the LuB2, LuB4, and LuB12 compounds by using the plane-wave pseudopotential approach to the density-functional theory within the generalized gradient approximation. We have considered three different crystal structures of LuBx: LuB2 (P6/mmm), LuB4 (P4/mbm), and LuB12 (Fm-3m). The most stable structure is found to be tetragonal (P4/mbm) structure. The comparative results on the basic physical parameters such as lattice constants, bulk modulus, bond distances, elastic constants, shear modulus, Young's modulus, and Poison's ratio are reported. Also, we have predicted that LuB4 and LuB12 compounds are potential superhard materials. Furthermore, the phonon dispersion curves and corresponding phonon density of states (DOS) are computed for considered phases. Our structural and some other results are in agreement with the available experimental and other theoretical data
dc.description.sponsorshipGazi University Research-Project Unit [05/2009-55]
dc.description.sponsorshipThis work is supported by Gazi University Research-Project Unit under Project No: 05/2009-55.
dc.identifier.doi10.1016/j.jallcom.2010.10.015
dc.identifier.endpage1715en_US
dc.identifier.issn0925-8388
dc.identifier.issn1873-4669
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage1711en_US
dc.identifier.urihttps://doi.org/10.1016/j.jallcom.2010.10.015
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5576
dc.identifier.volume509en_US
dc.identifier.wosWOS:000287167700076
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Alloys and Compounds
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectMechanical Properties
dc.subjectLattice Dynamical Properties
dc.subjectDiborides
dc.titleMechanical and phonon properties of the superhard LuB2, LuB4, and LuB12 compounds
dc.typeArticle

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