Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S

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dc.contributor.authorTorres, D.
dc.contributor.authorCarro, P.
dc.contributor.authorSalvarezza, R. C.
dc.contributor.authorIllas i Riera, Francesc
dc.date.accessioned2019-09-19T11:31:09Z
dc.date.available2019-09-19T11:31:09Z
dc.date.issued2006-11-30
dc.date.updated2019-09-19T11:31:09Z
dc.description.abstractThe atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions.
dc.format.extent4 p.
dc.format.mimetypeapplication/pdf
dc.identifier.idgrec548881
dc.identifier.issn0031-9007
dc.identifier.urihttps://hdl.handle.net/2445/140508
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.isformatofReproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.97.226103
dc.relation.ispartofPhysical Review Letters, 2006, vol. 97, num. 22, p. 226103
dc.relation.urihttps://doi.org/10.1103/PhysRevLett.97.226103
dc.rights(c) American Physical Society, 2006
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Ciència dels Materials i Química Física)
dc.subject.classificationTermodinàmica
dc.subject.classificationEstructura atòmica
dc.subject.otherThermodynamics
dc.subject.otherAtomic structure
dc.titleEvidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion

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