Theory of tunneling transport in periodic chains

TL;DR

This paper develops an analytic formula for off-resonance tunneling conductance in periodic chains, providing insights into transport properties, and applies it to molecular devices with phenyl chains connected to gold electrodes.

Contribution

It introduces a new analytic approach for tunneling transport, with detailed proofs and applications to molecular electronic systems.

Findings

Derived an explicit formula for tunneling conductance

Applied the formula to phenyl chain molecular devices

Provided insights into tunneling mechanisms in periodic systems

Abstract

We present an extended discussion of a recently proposed theoretical approach for off-resonance tunneling transport. The proofs and the arguments are explained at length and simple analogies and illustrations are used where possible. The result is an analytic formula for the asymptotic tunneling conductance which involves the overlap of three well defined physical quantities. We argue that the formula can be used to gain fresh insight into the tunneling transport characteristics of various systems. The formalism is applied here to molecular devices consisting of planar phenyl chains connected to gold electrodes via amine linkers.