Monte Carlo analysis of phosphorene nanotransistors

TL;DR

This paper uses Monte Carlo simulations coupled with density functional theory to analyze the non-equilibrium electronic transport in phosphorene nanotransistors, revealing intrinsic performance limitations.

Contribution

It introduces a comprehensive simulation approach combining Monte Carlo and DFT data to study phosphorene transistors under realistic non-equilibrium conditions.

Findings

Significant intrinsic performance limitations of phosphorene as a channel material.

Non-equilibrium effects are crucial at nanometer scales.

Full-band Monte Carlo simulations provide detailed transport insights.

Abstract

Experimental studies on two-dimensional (2D) materials are still in the early stages, and most of the theoretical studies performed to screen these materials are limited to the room-temperature carrier-mobility in the free standing 2D layers. With the dimensions of devices moving towards nanometer-scale lengths, the room-temperature carrier-mobility -- an equilibrium concept -- may not be the main quantity that controls the performance of devices based on these 2D materials, since electronic transport occurs under strong off--equilibrium conditions. Here we account for these non-equilibrium conditions and, for the case of monolayer phosphorene (monolayer black phosphorus), show the results of device simulations for a short channel n-MOSFET, using the Monte Carlo method coupled with the Poisson equation, including full bands and full electron-phonon matrix elements obtained from density functional theory. Our simulations reveal significant intrinsic limitations to the performance of phosphorene as a channel material in nanotransistors.