B\"uttiker probes and the Recursive Green's Function; an efficient approach to include dissipation in general configurations

TL;DR

This paper presents a new efficient method combining B"uttiker probes and Recursive Green's Function to include dissipation in electronic system simulations, significantly improving computational speed and accuracy.

Contribution

It introduces a modular algorithm that integrates B"uttiker probes with RGF, enhancing dissipation modeling in NEGF simulations and optimizing Jacobian computation.

Findings

Significant reduction in Jacobian computation time.

Successful application to graphene nanoribbon FETs.

Enhanced phonon modeling within B"uttiker probes.

Abstract

An efficient and compact approach to the inclusion of dissipative effects in Non-Equilibrium Green's Function (NEGF) simulations of electronic systems is introduced. The algorithm is based on two well known methods in the literature, firstly that of the so-called Recursive Green's Function (RGF) and secondly that of B\"uttiker probes. Numerical methods for exact evaluation of the Jacobian are presented by a direct extension to RGF which can be modularly included in any codebase that uses it presently. Then using both physical observations and numerical methods, the computation time of the B\"uttiker probe Jacobian is improved significantly. An improvement to existing phonon models within B\"uttiker probes is then demonstrated in the simulation of fully atomistic graphene nanoribbon based field effect transistors in n-i-n and p-i-n operation.