Strain tunable intrinsic ferromagnetic in 2D square CrBr2

Abstract

Two-dimensional 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 half-metal with the half-metallic gap of 1.58 eV. Monte Carlo simulations based on the Heisenberg model estimate 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 as a potential material for spintronic applications.