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dc.contributor.authorSanvito, Stefanoen
dc.contributor.authorDroghetti, Andreaen
dc.date.accessioned2020-02-07T15:50:28Z
dc.date.available2020-02-07T15:50:28Z
dc.date.created2019en
dc.date.issued2019en
dc.date.submitted2019en
dc.identifier.citationDroghetti A, Sanvito S, Impurity band magnetism in organic semiconductors, Physical Review B, 99, 9, 2019en
dc.identifier.otherYen
dc.identifier.urihttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.094413
dc.identifier.urihttp://hdl.handle.net/2262/91479
dc.descriptionPUBLISHEDen
dc.description.abstractRecent experiments and theoretical studies have proposed that spin-transport in organic semiconductors, in particular in Alq3, may occur in an impurity band. Here we model the electronic and magnetic properties of such an impurity band by treating the effect of disorder in a numerically accurate way. The calculations are carried out by solving the Anderson-Hubbard model within the mean-field approximation and by accounting for magnetic excitations via the Bethe-Salpeter equation.We find that some impurities form clusters where electrons are delocalized, while others develop localized magnetic moments, which are antiferromagnetically correlated. The excitations of these correlated magnetic moments are spin waves, which can enable spin transport.en
dc.language.isoenen
dc.relation.ispartofseriesPhysical Review Ben
dc.relation.ispartofseries99en
dc.relation.ispartofseries9en
dc.rightsYen
dc.subjectDefectsen
dc.subjectHopping transporten
dc.subjectMagnonsen
dc.subjectSpintronicsen
dc.subjectElemental semiconductorsen
dc.subjectMolecular solidsen
dc.subjectHubbard modelen
dc.subjectMean field theoryen
dc.subjectTight-binding modelen
dc.titleImpurity band magnetism in organic semiconductorsen
dc.typeJournal Articleen
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/sanvitosen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/drogheaen
dc.identifier.rssinternalid204034en
dc.identifier.doihttp://dx.doi.org/10.1103/PhysRevB.99.094413en
dc.rights.ecaccessrightsopenAccess
dc.identifier.rssurihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85063160395&doi=10.1103%2fPhysRevB.99.094413&partnerID=40&md5=0b1d8d2763b38cc13cd6442cc14ab2f8en
dc.identifier.orcid_id0000-0002-0291-715Xen


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