Quantum time-dependent Monte Carlo simulation of electron devices with 2D linear-band materials: a genuine TeraHertz signature for graphene

TL;DR

This paper introduces a quantum Monte Carlo simulation for 2D linear-band materials like graphene, revealing a high-frequency signature that can serve as a band structure tester, and emphasizes the importance of modeling both positive and negative kinetic energy electrons.

Contribution

It presents a new intrinsic electron injection model coupled with a quantum Monte Carlo simulator for 2D materials, capturing full device performance and highlighting the necessity of modeling both electron types for high-frequency analysis.

Findings

Successful comparison with experimental DC data.

Identification of a high-frequency signature unique to 2D linear-band materials.

Demonstration that electron injection rate is bias-dependent.

Abstract

An intrinsic electron injection model for linear band two-dimensional (2D) materials, like graphene, is presented and its coupling to a recently developed quantum time-dependent Monte Carlo simulator for electron devices, based on the use of stochastic Bohmian conditional wave functions, is explained. The simulator is able to capture the full (DC, AC, transient and noise) performance of 2D electron devices. In particular, we demonstrate that the injection of electrons with positive and negative kinetic energies is mandatory when investigating high frequency performance of linear band materials with Klein tunneling, while traditional models dealing with holes (defined as the lack of electrons) can lead to unphysical results. We show that the number of injected electrons is bias-dependent, implying that an extra charge is required to get self-consistent results. Interestingly, we provide a successful comparison with experimental DC data. Finally, we predict that a genuine high-frequency signature due to a roughly constant electron injection rate in 2D linear band electron devices (which is missing in 2D parabolic band ones) can be used as a band structure tester.