Abstract
Two-dimensional antiferromagnetic semiconductors have triggered significant attention due to their unique physical properties and broad application. Based on first-principles calculations, a novel two-dimensional (2D) antiferromagnetic material MnSi(2)N(4) monolayer is predicted. The calculation results show that the two-dimensional MnSi(2)N(4) prefers an antiferromagnetic state with a small band gap of 0.26 eV. MnSi(2)N(4) has strong antiferromagnetic coupling which can be effectively tuned under strain. Interestingly, the MnSi(2)N(4) monolayer exhibits a half-metallic ferromagnetic properties under an external magnetic field, in which the spin-up electronic state displays a metallic property, while the spin-down electronic state exhibits a semiconducting characteristic. Therefore, 100% spin polarization can be achieved. Two-dimensional MnSi(2)N(4) monolayer has potential application in the field of high-density information storage and spintronic devices.