Conductance of deformable molecules with interaction

TL;DR

This paper investigates the conductance of deformable molecules considering Coulomb interactions and phonon modes, analyzing related charge and deformation fluctuations and their interrelations at zero temperature.

Contribution

It introduces a comprehensive analysis of molecular conductance incorporating both Coulomb interactions and phonon-induced deformations, linking fluctuations to static susceptibilities.

Findings

Deformation fluctuations are quantitatively related to charge fluctuations.

Charge fluctuations exhibit similarity to static charge susceptibility.

The study provides insights into the interplay between molecular deformation and electronic properties.

Abstract

Zero temperature linear response conductance of molecules with Coulomb interaction and with various types of phonon modes is analysed together with local occupation, local moment, charge fluctuations and fluctuations of molecular deformation. Deformation fluctuations are quantitatively related to charge fluctuations which exhibit similarity also to static charge susceptibility.