Polarization-mediated electronic characteristics in ScCO-based 2D metal-ferroelectric heterostructures.

The preparation of two-dimensional (2D) monolayer ScCOferroelectric semiconductor materials provides a promising material candidate for the development of high-performance electronic devices. However, the Schottky barrier present at the electrode/ScCOinterface significantly hinders the efficiency of charge injection. In this work, we propose the utilization of 2D metallic materials as electrodes to form van der Waals (vdW) contacts with ferroelectric ScCOmonolayers, aiming to achieve reduced Fermi-level pinning at the interface. By leveraging the ferroelectric polarization reversal in ScCO, we demonstrate a controllable transition from Schottky to Ohmic contact, which is critical for optimizing charge injection efficiency. Additionally, we systematically investigate the polarization-mediated electronic properties of 2D metal/ScCOinterfaces through first-principles calculations. The findings indicate that a transition from Schottky to Ohmic contact can be induced within these heterostructures by manipulating the polarization reversal of ScCOferroelectric layers. Notably, the NbS/ScCOheterojunction, particularly in the upward polarization state, exhibits the highest carrier tunneling probability among the investigated heterojunctions, making it an optimal electrode for ScCO. These findings are essential for regulating Schottky barriers in 2D metal/ferroelectric semiconductor heterostructures and provide theoretical guidance for designing high-performance field-effect transistors based on 2D metal/ScCOvdW heterostructures.