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Conductance calculations for real systems on the nanoscale
Frank Grossmann1, Rafael Gutiérrez, Rüdiger Schmidt
1Institute for Theoretical Physics, Dresden University of Technology, 01062 Dresden, Germany. frank@physik.tu-dresden.de
Abstract:
Electron transport across molecular junctions is a rapidly growing topic at the borderline between physics and chemistry. We review calculations which were done in the Landauer transport formalism for monovalent systems, ranging from clusters to fullerenes. A realistic description of molecular conductance can be achieved by a density functional based approach to the calculation of the electronic transport properties.