Asymmetric Schottky Contacts in van der Waals Metal-Semiconductor-Metal Structures Based on Two-Dimensional Janus Materials

Physical and electronic asymmetry plays a crucial role in rectifiers and other devices with a directionally variant current-voltage (I-V) ratio. Several strategies for practically creating asymmetry in nanoscale components have been demonstrated, but complex fabrication procedures, high cost, and incomplete mechanistic understanding have significantly limited large-scale applications of these components. In this work, we present density functional theory calculations which demonstrate asymmetric electronic properties in a metal-semiconductor-metal (MSM) interface composed of stacked van der Waals (vdW) heterostructures. Janus MoSSe has an intrinsic dipole due to its asymmetric structure and, consequently, can act as either an n-type or p-type diode depending on the face at the interior of the stacked structure (SeMoS-SMoS vs. SMoSe-SMoS). In each configuration, vdW forces dominate the interfacial interactions, and thus, Fermi level pinning is largely suppressed. Our transport calculations show that not only does the intrinsic dipole cause asymmetric I-V characteristics in the MSM structure but also that different transmission mechanisms are involved across the S-S (direct tunneling) and S-Se interface (thermionic excitation). This work illustrates a simple and practical method to introduce asymmetric Schottky barriers into an MSM structure and provides a conceptual framework which can be extended to other 2D Janus semiconductors.