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dc.contributor.authorOsorio Guillén, Jorge Mario-
dc.contributor.authorVitos, Levente-
dc.contributor.authorKollár, János-
dc.contributor.authorAhuja, Rajeev-
dc.date.accessioned2017-10-24T16:58:34Z-
dc.date.available2017-10-24T16:58:34Z-
dc.date.issued2003-
dc.identifier.citationKollár, J., Vitos, L., Osorio Guillén, J. M., & Ahuja, R. (2003). Calculation of surface stress for fcc transition metals. Physical Review, B: Condensed Matter. 68(245417), 1-5. DOI:10.1103/PhysRevB.68.245417spa
dc.identifier.issn0163-1829-
dc.identifier.urihttp://hdl.handle.net/10495/8636-
dc.description.abstractABSTRACT: Using the density functional theory, formulated within the framework of the exact muffin-tin orbitals method, we have calculated the surface stress for the (111) free surfaces of the fcc 4d and 5d transition metals. Good agreement is obtained with the available ab initio data for Pd, Ir, and Au, while for Pt we predict a surface stress, which is about 33% lower compared to former theoretical results. The present surface stress values for the 4d and 5d fcc metals show the typical trend characteristic for the cohesive or surface energies of d series.spa
dc.format.mimetypeapplication/pdfspa
dc.language.isoengspa
dc.publisherThe American Physical Societyspa
dc.type.hasversioninfo:eu-repo/semantics/publishedVersionspa
dc.rightsAtribución-NoComercial-SinDerivadas 2.5 Colombia*
dc.rightsinfo:eu-repo/semantics/openAccessspa
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/2.5/co/*
dc.titleCalculation of surface stress for fcc transition metalsspa
dc.typeinfo:eu-repo/semantics/articlespa
dc.publisher.groupCiencia de los Materialesspa
dc.identifier.doi10.1103/PhysRevB.68.245417-
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85spa
dc.rights.accessrightshttp://purl.org/coar/access_right/c_abf2spa
dc.identifier.eissn2469-9969-
oaire.citationtitlePhysical Review B: Condensed Matterspa
oaire.citationstartpage1spa
oaire.citationendpage5spa
oaire.citationvolume68spa
oaire.citationissue245417spa
dc.rights.creativecommonshttps://creativecommons.org/licenses/by-nc-nd/4.0/spa
dc.publisher.placeEstados Unidosspa
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1spa
dc.type.redcolhttps://purl.org/redcol/resource_type/ARTspa
dc.type.localArtículo de investigaciónspa
dc.subject.lembMetales de transición-
dc.subject.lembTransition metals-
dc.subject.lembCálculo-
dc.subject.lembCalculus-
dc.subject.agrovocDensidad-
dc.subject.agrovocDensity-
dc.subject.agrovocTensión de la superficie-
dc.subject.agrovocSurface tension-
dc.subject.proposalSuperficies libres de metalesspa
dc.subject.proposalEnergías cohesivasspa
dc.subject.agrovocurihttp://aims.fao.org/aos/agrovoc/c_2186-
dc.subject.agrovocurihttp://aims.fao.org/aos/agrovoc/c_7531-
dc.description.researchgroupidCOL0002401spa
dc.relation.ispartofjournalabbrevPhys Rev Bspa
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