Elastic, electronic, and vibrational properties of RhN compound

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇolakoğlu, K.
dc.contributor.authorÇiftçi, Y. O.
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:27:30Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:27:30Z
dc.date.issued2010
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractThe structural, electronic, mechanical, and vibrational properties of 4d transition metal mononitride, RhN, are investigated using the norm-conserving pseudopotentials within the local density approximation (LDA) in the frame of density functional theory. The calculated lattice parameters and the bulk modulus almost agree with the previous theoretical values. The second-order elastic constants have been calculated and the other related quantities such as Young's modulus, shear modulus, anisotropy factor, sound velocities, and Debye temperature also estimated. Charge distributions and density of states are reported to understand the bonding character in the stable phases. We have also obtained the phonon dispersion curves without LO/TO splitting.
dc.description.sponsorshipGazi University [05/2009-55]
dc.description.sponsorshipThis work is supported by Gazi University Research-Project Unit under Project No: 05/2009-55. Finally, we kindly acknowledge Dr. Savas Berber for helping on the charge-density calculations.
dc.identifier.doi10.1007/s10853-010-4415-6
dc.identifier.endpage3726en_US
dc.identifier.issn0022-2461
dc.identifier.issn1573-4803
dc.identifier.issue14en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage3720en_US
dc.identifier.urihttps://doi.org/10.1007/s10853-010-4415-6
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5877
dc.identifier.volume45en_US
dc.identifier.wosWOS:000278029900005
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Materials Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleElastic, electronic, and vibrational properties of RhN compound
dc.typeArticle

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