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dc.contributor.authorSanvito, Stefanoen
dc.contributor.authorDroghetti, Andreaen
dc.date.accessioned2015-05-06T11:41:41Z
dc.date.available2015-05-06T11:41:41Z
dc.date.issued2014en
dc.date.submitted2014en
dc.identifier.citationAwadhesh Narayan, Ivan Rungger, Andrea Droghetti, and Stefano Sanvito, Ab initio transport across bismuth selenide surface barriers., Physical Review B, 90, 2014, 205431-en
dc.identifier.otherYen
dc.identifier.urihttp://hdl.handle.net/2262/73857
dc.descriptionPUBLISHEDen
dc.description.abstractWe investigate the effect of potential barriers in the form of step edges on the scattering properties of Bi2Se3(111) topological surface states by means of large-scale ab initio transport simulations. Our results demonstrate the suppression of perfect backscattering, while all other scattering processes, which do not entail a complete spin and momentum reversal, are allowed. Furthermore, we find that the spin of the surface state develops an out-of-plane component as it traverses the barrier. Our calculations reveal the existence of quasibound states in the vicinity of the surface barriers, which appear in the form of an enhanced density of states in the energy window corresponding to the topological state. For double barriers we demonstrate the formation of quantum well states. To complement our first-principles results we construct a two-dimensional low-energy effective model and illustrate its shortcomings. Our findings are discussed in the context of a number of recent experimental works.en
dc.format.extent205431en
dc.language.isoenen
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseries90en
dc.rightsYen
dc.subjectBismuth selenideen
dc.titleAb initio transport across bismuth selenide surface barriers.en
dc.typeJournal Articleen
dc.contributor.sponsorOtheren
dc.contributor.sponsorIrish Research Council for Science and Engineering Technology (IRCSET)en
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/sanvitosen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/drogheaen
dc.identifier.rssinternalid99927en
dc.identifier.doihttp://dx.doi.org/10.1103/PhysRevB.90.205431en
dc.rights.ecaccessrightsopenAccess
dc.contributor.sponsorGrantNumberFIC/2010/08en
dc.subject.TCDThemeNanoscience & Materialsen
dc.identifier.orcid_id0000-0002-0291-715Xen


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