Two-dimensional van der Waals electrical contact to monolayer MoSi2N4

Liemao Cao, Guanghui Zhou, L. Ang, Y. Ang
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引用次数: 118

Abstract

Two-dimensional (2D) MoSi$_2$N$_4$ monolayer is an emerging class of air-stable 2D semiconductor possessing exceptional electrical and mechanical properties. Despite intensive recent research efforts devoted to uncover the material properties of MoSi$_2$N$_4$, the physics of electrical contacts to MoSi$_2$N$_4$ remains largely unexplored thus far. In this work, we study the van der Waals heterostructures composed of MoSi$_2$N$_4$ contacted by graphene and NbS$_2$ monolayers using first-principle density functional theory calculations. We show that the MoSi$_2$N$_4$/NbS$_2$ contact exhibits an ultralow Schottky barrier height (SBH), which is beneficial for nanoelectronics applications. For MoSi$_2$N$_4$/graphene contact, the SBH can be modulated via interlayer distance or via external electric fields, thus opening up an opportunity for reconfigurable and tunable nanoelectronic devices. Our findings provide insights on the physics of 2D electrical contact to MoSi$_2$N$_4$, and shall offer a critical first step towards the design of high-performance electrical contacts to MoSi$_2$N$_4$-based 2D nanodevices.
单层MoSi2N4的二维范德华电接触
二维(2D) MoSi$_2$N$_4$单层是一类新兴的空气稳定二维半导体,具有优异的电学和力学性能。尽管最近有大量的研究致力于揭示MoSi$_2$N$_4$的材料性质,但MoSi$_2$N$_4$的电接触物理至今仍未被探索。本文采用第一性原理密度泛函理论计算,研究了石墨烯与NbS$_2$单层接触的MoSi$_2$N$_4$组成的范德华异质结构。结果表明,MoSi$_2$N$_4$/NbS$_2$接触面具有超低肖特基势垒高度(SBH),有利于纳米电子学的应用。对于MoSi$_2$N$_4$/石墨烯接触,SBH可以通过层间距离或通过外部电场进行调制,从而为可重构和可调谐的纳米电子器件开辟了机会。我们的研究结果为MoSi$_2$N$_4$的二维电触点的物理特性提供了新的见解,并将为设计基于MoSi$_2$N$_4$的二维纳米器件的高性能电触点提供关键的第一步。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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