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dc.contributor.authorMorari, C.
dc.contributor.authorAppelt, W. H.
dc.contributor.authorÖstlin, A.
dc.contributor.authorPrinz-Zwick, A.
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorEckern, U.
dc.contributor.authorChioncel, L.
dc.date.accessioned2018-01-15T07:33:23Z
dc.date.available2017-12-28T07:32:15Z
dc.date.available2018-01-15T07:33:23Z
dc.date.issued2017-11-20
dc.identifier.citationMorari C, Appelt WH, Östlin A, Prinz-Zwick A, Schwingenschlögl U, et al. (2017) Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures. Physical Review B 96. Available: http://dx.doi.org/10.1103/PhysRevB.96.205137.
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.doi10.1103/PhysRevB.96.205137
dc.identifier.urihttp://hdl.handle.net/10754/626550
dc.description.abstractWe examine the ballistic conduction through Au-NiMnSb-Au heterostructures consisting of up to four units of the half-metallic NiMnSb in the scattering region, using density functional theory (DFT) methods. For a single NiMnSb unit the transmission function displays a spin polarization of around 50% in a window of 1eV centered around the Fermi level. By increasing the number of layers, an almost complete spin polarization of the transmission is obtained in this energy range. Supplementing the DFT calculations with local electronic interactions, of Hubbard-type on the Mn sites, leads to a hybridization between the interface and many-body states. The significant reduction of the spin polarization seen in the density of states is not apparent in the spin polarization of the conduction electron transmission, which suggests that the hybridized interface and many-body induced states are localized.
dc.description.sponsorshipWe are grateful to Ivan Rungger for stimulating discussions. Part of the calculations were performed in the data center of NIRDIMT. Financial support offered by the Augsburg Center for Innovative Technologies, and by the Deutsche Forschungsgemeinschaft (through TRR 80) is gratefully acknowledged. C.M. thanks UEFISCDI for financial support through project PN-III-P4-ID-PCE-2016-0217. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.205137
dc.rightsArchived with thanks to Physical Review B
dc.titleSpin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionNational Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat, Cluj Napoca, 400293, , Romania
dc.contributor.institutionAugsburg Center for Innovative Technologies, University of Augsburg, Augsburg, 86135, , Germany
dc.contributor.institutionTheoretical Physics II, Institute of Physics, University of Augsburg, Augsburg, 86135, , Germany
dc.contributor.institutionTheoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Augsburg, 86135, , Germany
dc.identifier.arxividarXiv:1709.00983
kaust.personSchwingenschlögl, Udo
dc.versionv1
refterms.dateFOA2018-06-13T19:00:33Z
dc.date.posted2017-09-04


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