Transmission eigenchannels from non-equilibrium Green's functions

TL;DR

This paper introduces a method to calculate transmission eigenchannels within the NEGF framework, enabling visualization of electron transport pathways in molecular and atomic wires using standard NEGF data.

Contribution

It presents a straightforward procedure for deriving transmission eigenchannels from NEGF calculations, which was not previously available.

Findings

Method successfully visualizes eigenchannels in real space.

Applicable to molecular and atomic wire systems.

Uses only standard NEGF quantities.

Abstract

The concept of transmission eigenchannels is described in a tight-binding nonequilibrium Green's function (NEGF) framework. A simple procedure for calculating the eigenchannels is derived using only the properties of the device subspace and quantities normally available in a NEGF calculation. The method is exemplified by visualization in real-space of the eigenchannels for three different molecular and atomic-wires.