Simulation of bipolar charge transport in graphene on h-BN

Abstract

Purpose The purpose of this paper is to simulate charge transport in monolayer graphene on a substrate made of hexagonal boron nitride (h-BN). This choice is motivated by the fact that h-BN is one of the most promising substrates on account of the reduced degradation of the velocity due to the remote impurities. Design/methodology/approach The semiclassical Boltzmann equations for electrons in the monolayer graphene are numerically solved by an approach based on a discontinuous Galerkin (DG) method. Both the conduction and valence bands are included, and the inter-band scatterings are taken into account as well. Findings The importance of the inter-band scatterings is accurately evaluated for several values of the Fermi energy, addressing the issue related to the validity of neglecting the generation-recombination terms. It is found out that the inclusion of the inter-band scatterings produces sizable variations in the average values, like the current density, at zero Fermi energy, whereas, as expected, the effect of the inter-band scattering becomes negligible by increasing the absolute value of the Fermi energy. Research limitations/implications The correct evaluation of the influence of the inter-band scatterings on the electronic performances is deeply important not only from a theoretical point of view but also for the applications. In particular, it will be shown that the time necessary to reach the steady state is greatly affected by the inter-band scatterings, with not negligible consequences on the switching on/off processes of realistic devices. As a limitation of the present work, the proposed approach refers to the spatially homogeneous case. For the simulation of electron devices, non-homogenous numerical solutions are required. This last case will be tackled in a forthcoming paper. Originality/value As observed in Majorana et al. (2019), the use of a Direct Simulation Monte Carlo (DSMC) approach, which properly describes the inter-band scatterings, is computationally very expensive because the valence band is highly populated and a huge number of particles is needed. Even by simulating holes instead of electrons does not overcome the problem because there is a certain degree of ambiguity in the generation and recombination terms of electron-hole pairs. The DG approach, used in this paper, does not suffer from the previous drawbacks and requires a reasonable computing effort.