Modification of the electronic transport in Au by prototypical impurities and interlayers
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2010-03-09
Print Publication Date2010-02-01
Permanent link to this recordhttp://hdl.handle.net/10754/561621
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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.
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
SponsorsWe 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.
JournalEPL (Europhysics Letters)