Zero-Dipole Schottky Contact: Homologous Metal Contact to 2D Semiconductor

TL;DR

This paper demonstrates that a homologous metal contact to a 2D semiconductor can create a zero-dipole interface, maintaining ideal band alignment even under extreme contact conditions, which is a novel approach in contact engineering.

Contribution

It introduces the concept of zero-dipole Schottky contact using homologous 2D materials, enabling ideal band alignment despite strong interlayer interactions.

Findings

Zero-dipole contact achieved with homologous 2D materials.

Interface dipole remains zero even at minimal interlayer distance.

Model proposed for pressure sensing based on interlayer distance changes.

Abstract

Band alignment of metal contacts to 2D semiconductors often deviate from the ideal Shottky-Mott (SM) rule due to the non-ideal factors such as the formation of interface dipole and metal-induced gap states (MIGS). Although MIGS can be strongly suppressed using van der Waals (vdW) contact engineering, the interface dipole is hard to eliminate due to the electronegativity difference of the two contacting materials. Here we show that interface dipole can be practically eliminated in 2D semiconducting MoSi$_2$N$_4$ when contacted by its homologous metallic counterpart MoSi$_2$N$_4$(MoN)$_n$ ($n = 1-4$). The SiN outer sublayers, simultaneously present in both MoSi$_2$N$_4$ and MoSi$_2$N$_4$(MoN)$_n$, creates nearly equal charge `push-back' effect at the contact interface. This nearly symmetrical charge redistribution leads to zero net electron transfer across the interface, resulting in a \emph{zero-dipole} contact. Intriguingly, we show that even in the extreme close-contact case where MoSi$_2$N$_4$(MoN) is arbitrarily pushed towards MoSi$_2$N$_4$ with extremely small interlayer distance, the interface dipole remains practically zero. Such \emph{zero-dipole} Schottky contact represents a peculiar case where the SM rule, usually expected to occur only in the non-interacting regime, manifests in MoSi$_2$N$_4$/MoSi$_2$N$_4$(MoN)$_n$ vdWH even though the constituent monolayers interact strongly. A model for pressure sensing is then proposed based on changing the interlayer distance in MoSi$_2$N$_4$/MoSi$_2$N$_4$(MoN) vdWH.