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
 

Project Description

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