Conductance zeros in complex molecules and lattices from the interference set method

TL;DR

This paper introduces a general algorithm based on the interference set method to identify conductance zeros caused by destructive quantum interference in complex molecules and lattices, extending previous bipartite system results.

Contribution

It develops a universal algorithm for determining conductance zeros in complex, non-bipartite systems using the Dyson equation and interference set concept.

Findings

Algorithm successfully applied to fulvene molecule.

Conductance zeros are stable under certain perturbations.

Method extends to non-bipartite systems.

Abstract

Destructive quantum interference (DQI) and its effects on electron transport is studied in chemical molecules and finite physical lattices that can be described by a discrete Hamiltonian. Starting from a bipartite system whose conductance zeros are known to exist between any two points of a specially designated set, the interference set, we use the Dyson equation to develop a general algorithm of determining the zero conductance points in complex systems, which are not necessarily bipartite. We illustrate this procedure as it applies to the fulvene molecule. The stability of the conductance zeros is analyzed in respect with external perturbations.