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

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dc.contributor.coauthorChen, Shao Ping P.
dc.contributor.coauthorWills, John M.
dc.contributor.coauthorAlbers, Robert C.
dc.contributor.departmentDepartment of Physics
dc.contributor.facultymemberNo
dc.contributor.kuauthorÖrmeci, Alim
dc.contributor.schoolcollegeinstituteCollege of Sciences
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.fulltextNo
dc.description.harvestedfromManual
dc.description.indexedbyScopus
dc.description.openaccessYES
dc.description.peerreviewstatusN/A
dc.description.publisherscopeInternational
dc.description.readpublishN/A
dc.description.sponsoredbyTubitakEuN/A
dc.description.studentonlypublicationNo
dc.description.studentpublicationNo
dc.description.versionN/A
dc.identifier.WoSQuartileN/A
dc.identifier.embargoN/A
dc.identifier.issn0272-9172
dc.identifier.linkhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-0032681475andpartnerID=40andmd5=f95456ddae022f7487c27c383aa9bb28
dc.identifier.scopus2-s2.0-0032681475
dc.identifier.urihttps://hdl.handle.net/20.500.14288/6610
dc.identifier.volume552
dc.keywordsC15 Laves phase
dc.keywordsFirst-principles calculations
dc.keywordsNbCr2
dc.keywordsSubstitutional defects
dc.language.isoeng
dc.publisherMaterials Research Society
dc.relation.affiliationKoç University
dc.relation.collectionKoç University Institutional Repository
dc.relation.ispartofMaterials Research Society Symposium - Proceedings
dc.relation.openaccessN/A
dc.rightsN/A
dc.subjectPhysics
dc.titleFirst-principles total energy study of NbCr2 + V laves phase ternary system
dc.typeConference Proceeding
dspace.entity.typePublication
local.contributor.kuauthorÖrmeci, Alim
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