Type-II Multiferroic Hf2VC2F2 MXene Monolayer with High Transition Temperature

Achieving multiferroic two-dimensional (2D) materials should enable numerous functionalities in nanoscale devices. Until now, however, predicted 2D multiferroics are very few and with coexisting yet only loosely coupled (type-I) ferroelectricity and magnetism. Here, a type-II multiferroic MXene Hf2VC2F2 monolayer is identified, where ferroelectricity originates directly from its magnetism. The noncollinear 120 degrees Y-type spin order generates a polarization perpendicular to the spin helical plane. Remarkably, the multiferroic transition is estimated to occur above room temperature. Our investigation should open the door to a new branch of 2D materials in the pursuit of intrinsically strong magnetoelectricity.