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dc.contributor.authorFadlallah, Majida M.
dc.contributor.authorSchuster, Cosima B.
dc.contributor.authorEckern, Ulrich
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T09:00:29Z
dc.date.available2015-08-03T09:00:29Z
dc.date.issued2010-03-09
dc.identifier.citationFadlallah, M. M., Schuster, C., Eckern, U., & Schwingenschlögl, U. (2010). Modification of the electronic transport in Au by prototypical impurities and interlayers. EPL (Europhysics Letters), 89(4), 47003. doi:10.1209/0295-5075/89/47003
dc.identifier.issn02955075
dc.identifier.doi10.1209/0295-5075/89/47003
dc.identifier.urihttp://hdl.handle.net/10754/561621
dc.description.abstractElectronic transport calculations for metallic interfaces based on density functional theory and a scattering theory on the Landauer-Büttiker level are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results show that the influence of S and Si impurities is well described in terms of simple vacancies. Metallic impurities and interlayers, on the other hand, have even more drastic effects, in particular when the Au s-d hybrid states at the Fermi energy are perturbed. The effects of a possible interface alloy formation are discussed in detail. © 2010 EPLA.
dc.description.sponsorshipWe thank I. Rungger, S. Sanvito, and P. Schwab for fruitful discussions as well as the Deutsche Forschungsgemeinschaft (SFB 484) and the Egyptian Missions System for financial support.
dc.publisherIOP Publishing
dc.titleModification of the electronic transport in Au by prototypical impurities and interlayers
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.journalEPL (Europhysics Letters)
dc.contributor.institutionUniversität Augsburg, Institut für Physik, 86135 Augsburg, Germany
dc.contributor.institutionBenha University, Physics Department, Benha, Egypt
kaust.personSchwingenschlögl, Udo
dc.date.published-online2010-03-09
dc.date.published-print2010-02-01


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