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TT: Fachverband Tiefe Temperaturen

TT 32: Transport: Nanoelectronics III - Molecular Electronics 1

TT 32.2: Vortrag

Mittwoch, 28. März 2012, 15:15–15:30, BH 334

Master-equation approach for simulating STM images of single molecules — •Tim Ludwig¹, Carsten Timm¹, Torsten Hahn², and Jens Kortus² — ¹TU Dresden, Dresden, Germany — ²TU Freiberg, Freiberg, Germany

The power of STM imaging of single molecules lies in the spatial resolution and a well-defined contact with highly controllable contact strength. Therefore a wide range of molecule-substrate combinations are investigated by this technique. Traditional methods for simulating STM images, e.g., DFT + Tersoff-Hamann, use a static single-particle density-of-states description of the scanned object. This can be inappropriate for the investigation of single molecules, as for example Coulomb blockade may occur. In contrast a master-equation approach models the full many-body dynamics on the molecule, including, e.g., spin blockade and vibrational coupling. Furthermore it can be used for arbitrarily high bias voltages. We report on the first attempt for simulating STM images of single molecules by using a master-equation description.