Resonance transmission through a single atom

TL;DR

This paper uses first-principles calculations to analyze quantum conductance and resonance transmission in atomic tunneling devices with single atoms between electrodes, providing insights into their electronic properties.

Contribution

It introduces a first-principles computational approach to predict conductance and resonance transmission in atomic-scale tunneling devices with single atoms.

Findings

Predicted quantum conductance values for Si and Al atomic devices

Identified resonance transmission characteristics in atomic tunneling

Provided a detailed quantum scattering matrix evaluation

Abstract

When a single atom is sandwiched in between two electrodes, an atomic tunneling device may be realized depending on the distance between the atom and the electrodes. We have performed first-principles pesudopotential calculation in conjunction with a three-dimensional evaluation of the quantum scattering matrix for such a device. We predict the quantum conductance and resonance transmission properties of the Si and Al atomic tunneling devices.