The lattice dynamical and thermo-elastic properties of Rh3X (X = Ti, V) compounds

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404; OZISIK, HACI -- 0000-0002-4011-1720; SURUCU, Gokhan -- 0000-0002-3910-8575;
dc.contributor.authorSürücü, Gökhan
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÖzışık, Hacı
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:26:46Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:26:46Z
dc.date.issued2010
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractDue to the attractive high-temperature physical properties, platinum metal-base alloys such as Rh-base alloys make them important materials for various technological applications. To understand deeply the structural, thermo-elastic, and lattice dynamical properties of the L1(2)-type (space number 221) of intermetallic compounds Rh3Ti and Rh3V, we have performed ab-initio density-functional theory within the local density approximation (LDA). Specifically, the phonon dispersion curves and corresponding one-phonon density of states (DOS) for both compounds are computed. Some basic physical parameters such as lattice constant, bulk modulus, elastic constants, shear modulus, Young's modulus, and Poison's ratio are also calculated. Our structural results are consistent with the available experimental and other theoretical data. We have also predicted the temperature and pressure variation of the volume, bulk modulus, thermal expansion coefficient, heat capacity, and Debye temperature in a wide pressure (0-80 GPa) and temperature (0-2000 K) ranges.
dc.description.sponsorshipGazi University Research-Project Unit [05/2008-42]
dc.description.sponsorshipThis work is supported by Gazi University Research-Project Unit under Project No: 05/2008-42.
dc.identifier.doi10.1016/j.intermet.2009.07.025
dc.identifier.endpage291en_US
dc.identifier.issn0966-9795
dc.identifier.issn1879-0216
dc.identifier.issue2en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage286en_US
dc.identifier.urihttps://doi.org/10.1016/j.intermet.2009.07.025
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5705
dc.identifier.volume18en_US
dc.identifier.wosWOS:000272413800011
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Ltd.
dc.relation.ispartofIntermetallics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectMechanical Properties at High Temperatures
dc.subjectElastic Properties
dc.subjectThermal Properties
dc.subjectAb-initio Calculations
dc.titleThe lattice dynamical and thermo-elastic properties of Rh3X (X = Ti, V) compounds
dc.typeArticle

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