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dc.contributor.authorFadlallah, M. M.
dc.contributor.authorEckern, Ulrich
dc.contributor.authorRungger, Ivan
dc.contributor.authorSchuster, Cosima
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-04-13T13:11:20Z
dc.date.available2014-04-13T13:11:20Z
dc.date.issued2009-12-29
dc.identifier.citationFadlallah MM, Schuster C, Schwingenschlögl U, Rungger I, Eckern U (2009) Charge transport through O-deficient Au-MgO-Au junctions. Phys Rev B 80. doi:10.1103/PhysRevB.80.235332.
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.doi10.1103/PhysRevB.80.235332
dc.identifier.urihttp://hdl.handle.net/10754/315786
dc.description.abstractMetal-oxide heterostructures have been attracting considerable attention in recent years due to various technological applications. We present results of electronic structure and transport calculations for the Au-MgO-Au (metal-insulator-metal) heterostructure based on density-functional theory and the nonequilibrium Green’s functions method. The dependence of the conductance of the heterostructure on the thickness of the MgO interlayer and the interface spacing is studied. In addition, we address the effects of O vacancies. We observe deviations from an exponentially suppressed conductance with growing interlayer thickness caused by Au-O chemical bonds. Electronic states tracing back to O vacancies can increase the conductance. Furthermore, this effect can be enhanced by enlarging the interface spacing as the vacancy induced Mg states are shifted toward the Fermi energy.
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.80.235332
dc.rightsArchived with thanks to Physical Review B
dc.titleCharge transport through O-deficient Au-MgO-Au junctions
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.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germany
dc.contributor.institutionPhysics Department, Benha University, Benha, Egypt
dc.contributor.institutionSchool of Physics and CRANN, Trinity College, Dublin 2, Ireland
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:01:04Z


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