Magnetic anisotropy driven electronic properties and magneto-optical response of a MnBi monolayer
Phys. Rev. B 114, 165139 – Published 24 September, 2026
DOI: https://doi.org/10.1103/5y7t-ylx1
Abstract
The electronic, magnetic, valley, and magneto-optical properties of an intrinsic MnBi monolayer in the hexagonal phase are investigated using first-principles calculations including on-site Coulomb interactions and spin-orbit coupling. The monolayer exhibits a ferromagnetic ground state with pronounced magnetic anisotropy, which significantly modifies the low-energy electronic structure and induces magnetization-direction-dependent band gap openings. The Berry curvature and anomalous Hall conductivity are highly sensitive to the orientation of the magnetization. A sizable valley splitting emerges for out-of-plane magnetization, while it is nearly quenched for in-plane alignment, demonstrating a strong coupling between magnetic anisotropy and valley physics. Furthermore, charge doping, external electric fields, and mechanical strain provide efficient routes to tune the magnetization orientation and Curie temperature while preserving magnetic order. These results highlight the MnBi monolayer as a promising platform for two-dimensional spintronics, valleytronics, and magneto-optical applications.
