Publication:
First-principles total energy study of NbCr2 + V laves phase ternary system

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dc.contributor.coauthorChen S.P.
dc.contributor.coauthorWills, John M.
dc.contributor.coauthorAlbers R.C.
dc.contributor.departmentDepartment of Physics
dc.contributor.kuauthorÖrmeci, Alim
dc.contributor.kuprofileResearcher
dc.contributor.otherDepartment of Physics
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.contributor.yokidN/A
dc.date.accessioned2024-11-09T22:50:06Z
dc.date.issued1999
dc.description.abstractThe C15 NbCr2 + V Laves phase ternary system is studied by using a first-principles, self-consistent, full-potential total energy method. Equilibrium lattice parameters, cohesive energies, density of states and formation energies of substitutional defects are calculated. Results of all these calculations show that in the C15 NbCr2 + V compounds, V atoms substitute Cr atoms only.
dc.description.indexedbyScopus
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.volume552
dc.identifier.doiN/A
dc.identifier.issn0272-9172
dc.identifier.linkhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-0032681475andpartnerID=40andmd5=f95456ddae022f7487c27c383aa9bb28
dc.identifier.quartileN/A
dc.identifier.scopus2-s2.0-0032681475
dc.identifier.uriN/A
dc.identifier.urihttps://hdl.handle.net/20.500.14288/6610
dc.keywordsElectronic density of states
dc.keywordsLattice constants
dc.keywordsNiobium alloys
dc.keywordsNumerical methods
dc.keywordsPhase diagrams
dc.keywordsPoint defects
dc.keywordsFirst principle total energy study
dc.keywordsNiobium chromium vanadium alloys
dc.keywordsSubstitutional defects
dc.keywordsTernary systems
dc.languageEnglish
dc.publisherN/A
dc.sourceMaterials Research Society Symposium - Proceedings
dc.subjectPhysics
dc.titleFirst-principles total energy study of NbCr2 + V laves phase ternary system
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.authorid0000-0001-5468-3378
local.contributor.kuauthorÖrmeci, Alim
relation.isOrgUnitOfPublicationc43d21f0-ae67-4f18-a338-bcaedd4b72a4
relation.isOrgUnitOfPublication.latestForDiscoveryc43d21f0-ae67-4f18-a338-bcaedd4b72a4

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