Steady-state non-equilibrium numerical renormalization group approach applied to molecular electronics

• Applicant: Professor Dr. Frithjof B. Anders
• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2016 to 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 323777494

This project focuses on the steady-state transport properties of nano-devices consisting of a strongly correlated central region as realised in small quantum dots or molecular junctions. We propose the application of a novel technique to steady state quantum transport based on Wilson's numerical renormalization group approach to directly calculate the current-voltage characteristics of molecular junction in the non-equilibrium regime for strong coupling constants.The influence of a rattling motion onto the current transport and possibility ofa current driven bistability of the molecular occupation in asymmetric molecular junctions shall be investigated. Ab-initio LDA hybridization functions will be used as single-particle input for a realistic modeling of molecular junctions.

• DFG Programme: Research Grants