Andreev reflection through Fano resonances in molecular wires

TL;DR

This paper investigates how Fano resonances influence Andreev reflection in molecular junctions, revealing that side groups can induce sub-gap resonance structures, with insights supported by first-principles calculations and theoretical modeling.

Contribution

It demonstrates the impact of molecular side groups on Andreev reflection via Fano resonances using a combined numerical and theoretical approach.

Findings

Fano resonances can induce sub-gap structures in Andreev reflection

Side groups in molecules significantly affect electron transport

Theoretical model explains numerical results

Abstract

We study Andreev reflection in a normal conductor-molecule-superconductor junction using a first principles approach. In particular, we focus on a family of molecules consisting of a molecular backbone and a weakly coupled side group. We show that the presence of the side group can lead to a Fano resonance in the Andreev reflection. We use a simple theoretical model to explain the results of the numerical calculations and to make predictions about the possible sub-gap resonance structures in the Andreev reflection coefficient.