Electron transport through metal/MoS2 interfaces: edge- or area-dependent process?

TL;DR

This paper uses quantum transport simulations to show how oxide layers influence electron transfer processes at metal/MoS2 interfaces, affecting contact resistance and device design.

Contribution

It reveals that oxide layers promote area-dependent electron transfer, reconciling different theories about metal/MoS2 contact physics.

Findings

Oxide layers favor area-dependent transfer with long transfer lengths.

Clean interfaces lead to edge-dependent processes.

Framework for designing low-resistance contacts.

Abstract

In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like structures. Besides the Schottky barrier height, the transfer length of electrons between metals and 2-D monolayers is a highly relevant parameter. For MoS$_2$, both short ($\le$30 nm) and long ($\ge$0.5 $\mu$m) values have been reported, corresponding to either an abrupt carrier injection at the contact edge or a more gradual transfer of electrons over a large contact area. Here we use \textit{ab initio} quantum transport simulations to demonstrate that the presence of an oxide layer between a metallic contact and a MoS$_2$ monolayer, for example TiO$_2$ in case of titanium electrodes, favors an area-dependent process with a long transfer length, while a perfectly clean metal-semiconductor interface would lead to an edge process. These findings reconcile several theories that have been postulated about the physics of metal/MoS$_2$ interfaces and provide a framework to design future devices with lower contact resistances.