Electronic Transport in 2D-Based Printed FETs from a Multiscale Perspective

Abstract

As 2D materials (2DMs) gain the research limelight as a technological option for obtaining on-demand printed low-cost integrated circuits with reduced environmental impact, theoretical methods able to provide the necessary fabrication guidelines acquire fundamental importance. Here, a multiscale modeling technique is exploited to study electronic transport in devices consisting of a printed 2DM network of flakes. The approach implements a Monte Carlo scheme to generate the flake distribution. By means of ab initio density functional theory calculations together with non equilibrium Green’s functions formalism, detailed physical insights on flake-to-flake transport mechanisms are provided. This later feeds a 3D drift-diffusion and Poisson solution to compute self-consistently transport and electrostatics in the device. The method is applied to MoS2 and graphene-based dielectrically gated FETs, highlighting the impact of the structure density and variability on the mobility and sheet resistance. The prediction capability of the proposed approach is validated against electrical measurements of in-house printed graphene conductive lines as a function of film thickness, demonstrating its strong potential as a guide for future experimental activity in the field.