Dresden 2009 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 23: Transport: Nanoelectronics III - Molecular Electronics

TT 23.10: Talk

Wednesday, March 25, 2009, 12:00–12:15, HSZ 105

Interplay of Mechanical and Electrical Degrees of Freedom in Molecular Junctions — •Florian Pump¹, Cormac Toher¹, Ruslan Temirov², Olga Neucheva², Serguei Soubatch², Stefan Tautz², Michael Rohlfing³, and Gianaurelio Cuniberti¹ — ¹Institute for Materials Science, Dresden University of Technology, D-01062 Dresden — ²Institut für Bio- und Nanosysteme 3, JARA, Forschungszentrum Jülich, D-52425 Jülich — ³Department of Physics, University of Osnabrück, D-49069 Osnabrück

The electronic transport properties of molecular junctions are very sensitive to the contact configuration which is usually not very well known. One type of setup which allows more control over the contact geometry uses an STM (scanning tunnelling microscope) tip as one of the electrodes enabling the investigation of both the electronic and geometric structure of the junction. We present, using the non-equilibrium Green function formalism in combination with DFT [2-4], the results of our recent calculations related to a set of experiments studying PTCDA on metallic surfaces [1]. The calculations allow for the systematic investigation of the effect of the contact geometry on the transport properties of molecular junctions, which should in turn improve the agreement between theory and experiment.

[1] R. Temirov, A. Lassise, F. B. Anders, and F. S. Tautz, Nanotechnology 19, 065401 (2008).

[2] F. Pump et al., Appl. Phys. A 93, 335 (2008).

[3] A. R. Rocha et al., Phys. Rev. B 73, 085414 (2006).

[4] A. Pecchia and A. Di Carlo, Rep. Prog. Phys. 67, 1497 (2004).