Strain-tunable magnetic property of ferromagnetic square CoSe monolayer

Two-dimensional (2D) intrinsic ferromagnetic materials with large perpendicular magnetic anisotropy (PMA) and high Curie temperature have attracted extensive attention for their potential applications. However, 2D intrinsic ferromagnets prepared experimentally are still very few and most of them have low PMA and Curie temperature. Here, using first-principles calculations, we investigate the structural stability, electronic and magnetic properties of square CoSe monolayer. The calculations indicate that CoSe monolayer is ferromagnetic metal with high Curie temperature of 251.9 K and PMA of 0.825 meV/unit cell. Additionally, the effect of biaxial strain on the magnetic and electronic properties of CoSe monolayer is explored. The CoSe monolayer has strong ferromagnetism over a biaxial strain range of −5 % to 5 %. Tensile strain can induce a transition from metal to half-metal. The Curie temperature of CoSe monolayer can be enhanced under compressive strain. Tensile strain increases the magnetic anisotropy energy by 92.2 % compared with that of the unstrained system. The robust ferromagnetism as well as the regulated magnetic anisotropy and Curie temperature of CoSe monolayer provide a new direction for the development of spintronics.