Electric-field-induced magnetic switching in a monolayer MXene Cr2NCl2 with intrinsic electronic polarization

Abstract

Two-dimensional multiferroic materials with coupled magnetic and ferroelectric properties are highly desirable for next-generation spintronic and memory applications. However, the realization of intrinsic 2D multiferroics with strong magnetoelectric coupling and room-temperature stability remains a significant challenge. Here, we identify monolayer Cr₂NCl₂ as a promising candidate by systematically investigating its magnetic and magnetoelectric properties using density functional theory (DFT) with Hubbard U corrections. Our results reveal that Cr₂NCl₂ adopts a ground-state interlayer antiferromagnetic (AFM1) configuration with asymmetric magnetic compensate moments across Cr layers, resulting in spontaneous out-of-plane polarization and ferrimagnetism. Monte Carlo simulations based on spin–orbit coupling (SOC)-corrected exchange interactions predict a Néel temperature of ∼307 K, close to room temperature. Furthermore, a magnetic phase transition from interlayer antiferromagnetic (AFM1) to ferromagnetic (FM) order can be induced by applying an out-of-plane electric field. These findings demonstrate that Cr₂NCl₂ is a robust 2D magnetoelectric multiferroic material with electrically tunable magnetism at ambient conditions, providing a viable platform for practical magnetoelectric devices.