Theoretical investigations of two-dimensional intrinsic magnets derived from transition-metal borides M₃B₄ (M = Cr, Mn, and Fe).

ABSTRACT: Two-dimensional (2D) magnetic materials with high critical temperatures (T _C ) and robust magnetic anisotropy energies (MAE) hold significant potential for spintronic applications. However, most of 2D magnetic materials are derived from the van der Waals (vdW) layered bulks, which greatly limits the synthesis of 2D magnetic materials. Here, 2D M₃B₄ (M = Cr, Mn, and Fe; B = Boron), derived from hexagonal and orthorhombic M₃AlB₄ phases by selectively etching Al layers, was studied for its structural stability, electronic structure, and magnetic properties. By utilizing ab initio calculations and Monte Carlo simulations, we found that the orthorhombic Cr₃B₄ shows ferromagnetic (FM) metal and poss

SUBMITTER: Ma C 

PROVIDER: S-EPMC11573340 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature