Verification of cosine squared relation of electronic conductance in a biphenyl molecule

TL;DR

This paper verifies experimentally observed cosine squared dependence of electronic conductance in biphenyl molecules through theoretical calculations using Green's function formalism, confirming the relation's validity.

Contribution

It provides a theoretical verification of the cosine squared conductance relation in biphenyl molecules within a tight-binding framework, aligning with experimental data.

Findings

Conductance varies as cosine squared of twist angle.

Theoretical results match experimental observations.

Green's function formalism effectively models molecular conductance.

Abstract

The experimentally obtained (Venkataraman {\em et al}. \cite{latha}) cosine squared relation of electronic conductance in a biphenyl molecule is verified theoretically within a tight-binding framework. Using Green's function formalism we numerically calculate two-terminal conductance as a function of relative twist angle among the molecular rings and find that the results are in good agreement with the experimental observation.