Room-temperature antiferromagnetic CrSe monolayer with tunable metal–insulator transition in ferroelectric heterostructures

Abstract

Recently, there has been a rapidly growing interest in two-dimensional (2D) transition metal chalcogenide monolayers (MLs) due to their unique magnetic and electronic properties. By using an evolutionary algorithm and first-principles calculations, we report the discovery of a previously unexplored, chemically, energetically, and thermodynamically stable 2D antiferromagnetic (AFM) CrSe ML with a Néel temperature higher than room temperature. Remarkably, we predict an electric field-controllable metal–insulator transition in a van der Waals heterostructure comprised of CrSe ML and ferroelectric Sc2CO2. This tunable transition in the CrSe/Sc2CO2 heterostructure is attributed to the change in the band alignment between CrSe and Sc2CO2 caused by the ferroelectric polarization reversal in Sc2CO2. Our findings suggest that 2D AFM CrSe ML has important potential applications in AFM spintronics, particularly in the gate voltage conducting channel.