A tetragonal phase Mn2B2 sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Abstract

Exploring the magnetic properties of two-dimensional (2D) metal boride (MBene) sheets for spin-based electronics is gaining importance for developing electronic devices. Through combined first-principles calculations and Monte Carlo simulations, we present a new tetragonal Mn₂B₂ (tetra-Mn₂B₂) sheet. The tetra-Mn₂B₂ sheet shows metallic ferromagnetism (2.65 μ_B per Mn atom) with excellent stability. Moreover, it is demonstrated that the tetra-Mn₂B₂ sheet holds promise for experimental synthesis within an acceptable range from the results of stability tests of tetra-Mn₂B₂. We also find that the magnetic anisotropy (MAE) of the 2D tetra-Mn₂B₂ sheet is significantly increased under an electric field. The Curie temperature (T_C) of the tetra-Mn₂B₂ sheet is calculated as 406 K. This 2D tetra-Mn₂B₂ with a high Curie temperature can serve as a promising candidate for future magnetoelectronics applications.