Predicting Intrinsic Antiferromagnetic and Ferroelastic MnF4 monolayer with Controllable Magnetization

Two-dimensional multiferroic materials with controllable magnetism have promising prospects in miniaturized devices. By performing first-principles calculations, we predict that MnF4 monolayer is a ferroelastic semiconductor with an energy barrier ~160 meV/f.u. and a reversible strain of 14.3%. Meanwhile, it is antiferromagnetic material with the easy-axis along b-axis and a Neel temperature of 190 K. The magnetic states and easy-axis can be switched by the biaxial strain or carrier doping. Thereby, MnF4 monolayer is a promising material to study the magnetic anisotropy and magneto-elastic coupling.