PHYSICAL CHEMISTRY CHEMICAL PHYSICS, cilt.22, sa.19, ss.10893-10899, 2020 (SCI-Expanded)
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 mu(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.