Light-induced current in molecular junctions: Local field and non-Markov effects

TL;DR

This paper models light-induced current in molecular junctions considering local field effects and non-Markovian dynamics, using advanced numerical methods to improve understanding of charge transfer under laser excitation.

Contribution

It introduces a generalized model for charge transfer in molecular junctions that incorporates local field effects and non-Markovian responses, advancing previous theoretical frameworks.

Findings

Numerical simulations show the impact of local fields on current dynamics.

Non-Markovian effects significantly influence charge transfer behavior.

Results align with and extend prior studies on laser-driven molecular junctions.

Abstract

We consider a two-level system coupled to contacts as a model for charge pump under external laser pulse. The model represents a charge-transfer molecule in a junction, and is a generalization of previously published results [B. D. Fainberg, M. Jouravlev, and A. Nitzan. Phys. Rev. B 76, 245329 (2007)]. Effects of local field for realistic junction geometry and non-Markov response of the molecule are taken into account within finite-difference time-domain (FDTD) and on-the-contour equation-of-motion (EOM) formulations, respectively. Our numerical simulations are compared to previously published results.