Regensburg 2010 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 36: TR: Poster Session
TT 36.4: Poster
Donnerstag, 25. März 2010, 14:00–18:00, Poster A
Modification of the electronic transport in Au by prototypical impurities and interlayers — •Mohamed Fadlallah1,2, Cosima Schuster1, Udo Schwingenschlögl3, and Ulrich Eckern1 — 1Universität Augsburg, 86135 Augsburg, Germany — 2Benha University, Benha, Egypt — 3KAUST, Thuwal 23955-6900, Kingdom of Saudi Arabia
Electronic tranport calculations using the Smeagol code based on density functional theory and the non-equilibrium Green’s functions method are presented. We study the modifications of the transport through Au due to prototypical impurities and interlayers. Our results demonstrate that non-metallic impurities (S or Si) act upon transport similar to vacancies, since they do not contribute to the electronic states at the Fermi energy. On the other hand, metallic impurities and interlayers (Cu or Ni) can have drastic effects on the transport, in particular when the Au sd hybridized states at the Fermi energy are perturbed. For Au/nAg/Au heterostructures the conductance decreases as the interlayer thickness increases but no saturation is found up to n=8 interlayers. The formation of an interface alloy is also considered. The transmission through a two component interlayer system can be described as a superposition of the effects of the individual layers.