Charge transport through O-deficient Au-MgO-Au junctions

Handle URI:
http://hdl.handle.net/10754/315786
Title:
Charge transport through O-deficient Au-MgO-Au junctions
Authors:
Fadlallah, M. M.; Eckern, Ulrich; Rungger, Ivan; Schuster, Cosima; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Metal-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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Fadlallah 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.
Publisher:
American Physical Society
Journal:
Physical Review B
Issue Date:
29-Dec-2009
DOI:
10.1103/PhysRevB.80.235332
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.80.235332
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorFadlallah, M. M.en
dc.contributor.authorEckern, Ulrichen
dc.contributor.authorRungger, Ivanen
dc.contributor.authorSchuster, Cosimaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-04-13T13:11:20Z-
dc.date.available2014-04-13T13:11:20Z-
dc.date.issued2009-12-29en
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.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.80.235332en
dc.identifier.urihttp://hdl.handle.net/10754/315786en
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.en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.80.235332en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleCharge transport through O-deficient Au-MgO-Au junctionsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, Germanyen
dc.contributor.institutionPhysics Department, Benha University, Benha, Egypten
dc.contributor.institutionSchool of Physics and CRANN, Trinity College, Dublin 2, Irelanden
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSchwingenschlögl, Udoen
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