Applied-Field Effects on Benzene Transmission

TL;DR

This paper investigates how an applied electric field influences electron transmission in substituted benzene molecules by deriving modified site energies and analyzing their effects on transmission spectra.

Contribution

It introduces a method to incorporate field-modified site energies into scattering theory for analyzing benzene transmission under external fields.

Findings

Transmission spectra shift to lower energies with increasing field gradient.

Field effects cause predictable modifications in spectral patterns.

A limiting field strength causes the spectra to stabilize in their shift behavior.

Abstract

By expressing the discrete Schrodinger equation as a second-order finite-difference equation with constant coefficients, the renormalization equations for substituted benzene dimers are derived via the c_n-coefficient elimination procedure. On subjecting the benzene molecule to a linear applied field, the resulting field-modified site energies are obtained, by projecting the site-energy locations onto a corresponding benzene dimer axis. Incorporating these modified site energies into the Lippmann-Schwinger scattering theory, enables the field effect to manifest itself in the substituted benzene electron transmission spectral function T(E). Variations in the T(E) energy spectra, arising from increases in the applied field gradient f, are described for each substituted benzene, and comparison made between their various patterns' behaviours. A common feature of the T(E) curves is their shifts to lower energies, as f increases to a calculated limiting value.