Strain Tunable Intrinsic Ferromagnetic in 2D Square CrBr$_2$ (2109.08808v1)

Abstract: Two-dimensional (2D) intrinsic magnetic materials with high Curie temperature (Tc) coexisting with 100% spin-polarization are highly desirable for realizing promising spintronic devices. In the present work, the intrinsic magnetism of monolayer square CrBr2 is predicted by using first-principles calculations. The monolayer CrBr2 is an intrinsic ferromagnetic (FM) half-metal with the half-metallic gap of 1.58 eV. Monte Carlo simulations based on the Heisenberg model estimates Tc as 212 K. Furthermore, the large compressive strain makes CrBr2 undergo ferromagnetic-antiferromagnetic phase transition, when the biaxial tensile strain larger than 9.3% leads to the emergence of semiconducting electronic structures. Our results show that the intrinsic half-metal with a high Tc and controllable magnetic properties endow monolayer square CrBr2 a potential material for spintronic applications.