Dresden 2017 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 30: Transport: Molecular Electronics and Photonics (jointly with CPP, HL, MA, O)

CPP 30.5: Talk

Wednesday, March 22, 2017, 10:30–10:45, HSZ 201

Analysis of local current through molecular wires in open quantum systems — •Daijiro Nozaki, Andreas Lücke, and Wolf Gero Schmidt — Lehrstuhl für Theoretische Materialphysik, Universität Paderborn, 33095 Paderborn, Germany

The understanding of the local electronic flows in single molecules is of fundamental importance in the design of functional molecules as well as molecule-based electronic devices [1-4]. The charge transport through molecular wires connected between contacts is investigated using non equilibrium Green’s function formalism combined with Landauer formula. Energy-dependent and total current through a series of molecular junctions are calculated in real space representation. The influence of contact positions, functional groups, and the replacement of atoms as defects on the transport properties are examined systematically. The static current-induced local magnetic field is also investigated in carbon-based molecular wires. It is shown that even in the same bias directions the direction of the magnetic field is easily reversed depending on the molecular topologies and the positions of electric contacts.

[1] M. Walz, J. Wilhelm, and F. Evers Phys. Rev. Lett. 113, 136602 (2014)

[2] J. Wilhelm, M. Walz, and F. Evers Phys. Rev. B 92, 014405 (2015)

[3] G. C. Solomon, C. Herrmann, T. Hansen, V. Mujica, and M. A. Ratner Nat. Chem. 2, 223 (2010)

[4] T. Ono and K. Hirose, Phys. Rev. Lett. 98, 026804 (2007)