Interface-induced transition from Schottky-to-Ohmic contact in Sc2CO2-based multiferroic heterojunctions

Abstract

In order to achieve a multiferroic heterojunction with a low resistance contact, we investigated a series of Sc₂CO₂-based van der Waals (vdW) multiferroic heterojunctions in which the ferromagnetics (1T-MnSe₂, 1T-VSe₂, and 1T-VTe₂) were selected as the contact electrodes in terms of first-principles calculations. By reversing the polarization state of Sc₂CO₂ from Sc-P↑ to Sc-P↓, we found that the heterojunctions converted from Schottky-to-Ohmic contact. Moreover, this conversion, accompanied by an interface charge transfer is intrinsic and is not regulated by the interlayer spacing and biaxial strain. This work provides an avenue for the design of two-dimensional Sc₂CO₂-based multiferroic electronics in the future.