Berlin 2015 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 103: Transport: Poster Session
TT 103.12: Poster
Thursday, March 19, 2015, 15:00–18:00, Poster B
Transport Calculations for Si4 Clusters with Gold single Atom Contacts — •Jeffrey Kelling1, Jochen Kerbusch1,2, Artur Erbe1, Rainer Dietsche3, Gerd Ganteför3, Elke Scheer3, Peter Zahn1, and Sibylle Gemming1,4 — 1Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany — 2Center for Advancing Electronics Dresden (CFAED), Technische Universität Dresden, Dresden, Germany — 3Physics Department, University of Konstanz, Konstanz, Germany — 4Institute of Physics, TU Chemnitz, Chemnitz, Germany
We present results for electronic transport through Si4 clusters contacted by single-atom gold contacts attached to <111> fcc-gold leads. The calculations were performed using density functional theory and the non-equilibrium Green’s function approach for transport. The simulation setup mimics contacts in mechanically controllable break-junction experiments, which provide data for comparison.