Effects of Contact Parameters on Transmission through a Benzene Ring

TL;DR

This paper investigates how contact parameters like site and bond energies influence electron transmission through a benzene ring connected to gold leads, using a tight-binding model and renormalization method.

Contribution

It introduces a detailed analysis of contact atom parameters' effects on transmission, highlighting their significance in molecular electronic transport.

Findings

Contact parameters significantly affect transmission probability.

Site energy and bond energies alter transmission characteristics.

Modeling contact parameters is crucial for understanding molecular conductance.

Abstract

Transmission through a benzene ring, connected by sulfur contact atoms to gold leads, is calculated by a tight-binding model by means of the renormalization method. Attention is focused on the parameters associated with the contact atoms, namely their site energy and their bond energies with the ring and the leads. These parameters are found to have significant effects on the transmission probability function.