Multiscale Modeling of Semimetal Contact to Two-Dimensional Transition Metal Dichalcogenide Semiconductor

TL;DR

This paper introduces a multiscale simulation method to analyze contact transport in semimetal-2D TMDC interfaces, revealing mechanisms for low resistance and potential for aggressive device scaling.

Contribution

It develops a novel multiscale simulation approach to understand and optimize contact resistance in semimetal-TMDC interfaces, combining quantum transport insights with experimental validation.

Findings

Low contact resistance achievable through dielectric engineering and doping.

Potential to reduce contact transfer length to ~1 nm.

Simulation results align with recent experimental data.

Abstract

A multiscale simulation approach is developed to simulate the contact transport properties between semimetal to a monolayer two-dimensional (2D) transition metal dichalcogenide (TMDC) semiconductor. The results elucidate the mechanisms for low contact resistance between semimetal and TMDC semiconductor contacts from a quantum transport perspective. The simulation results compare favorably with recent experiments. Furthermore, the results show that the contact resistance of a Bismuth-MoS2 contact can be further reduced by engineering the dielectric environment and doping the TMDC material to <100 ${\Omega}$.${\mu}$m. The quantum transport simulation indicates the possibility to achieve an ultrashort contact transfer length of ~1 nm, which can allow aggressive scaling of the contact size.