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dc.contributor.authorGonzález del Río, Beatriz
dc.contributor.authorPascual, Carlos
dc.contributor.authorGonzález Tesedo, Luis Enrique 
dc.contributor.authorGonzález Fernández, David José 
dc.date.accessioned2020-09-28T11:34:22Z
dc.date.available2020-09-28T11:34:22Z
dc.date.issued2020
dc.identifier.citationJournal of Physics: Condensed Matter, 2020, Volume 32, Number 21es
dc.identifier.issn0953-8984es
dc.identifier.urihttp://uvadoc.uva.es/handle/10324/42606
dc.descriptionProducción Científicaes
dc.description.abstractThe static and dynamic properties of several bulk liquid 3d transition metals at thermodynamic conditions near their respective melting points have been evaluated by using ab initio molecular dynamics simulations. The calculated static structure factors show an asymmetric second peak followed by a more or less marked shoulder which points to a sizeable amount of icosahedral local order. Special attention is devoted to the analysis of the longitudinal and transverse current spectral functions and the corresponding dispersion of collective excitations. For some metals, we have found the existence of two branches of transverse collective excitations in the second pseudo-Brillouin zone. Finally, results are also reported for several transport coefficients.es
dc.format.mimetypeapplication/pdfes
dc.language.isoenges
dc.publisherIOP Publishinges
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subject.classificationLiquid transition metalses
dc.titleStructure and dynamics of the liquid 3d transition metals near melting. An ab initio studyes
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.holder© 2020 IOP Publishinges
dc.identifier.doi10.1088/1361-648x/ab6f16es
dc.relation.publisherversionhttps://iopscience.iop.org/article/10.1088/1361-648X/ab6f16es
dc.identifier.publicationfirstpage214005es
dc.identifier.publicationissue21es
dc.identifier.publicationtitleJournal of Physics: Condensed Matteres
dc.identifier.publicationvolume32es
dc.peerreviewedSIes
dc.description.projectJunta de Castilla y León (Ref. project VA124G18)es
dc.description.projectMinisterio de Economía, Industria y Competitividad (Project PGC2018-093745-B-I00) and FEDERes
dc.identifier.essn1361-648Xes
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.type.hasVersioninfo:eu-repo/semantics/acceptedVersiones
dc.subject.unesco22 Físicaes


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