Room-temperature ferromagnetism and doping-controllable spin transport in hydrogenated monolayer
Phys. Rev. B 112, 094458 – Published 29 September, 2025
DOI: https://doi.org/10.1103/slw3-nmn4
Abstract
The modulation of the magnetic and electronic properties of monolayer through hydrogenation is systematically investigated from first principles. The hydrogenated monolayer exhibits both dynamical and thermal stabilities at room temperature. The magnetic ground state of monolayer transforms from a noncollinear antiferromagnetic state to a ferromagnetic state upon hydrogenation, accompanied by the transition from metal to semiconductor. These transitions can be attributed to the induced tensile strain and charge redistribution resulting from the adsorption of hydrogen. When hydrogen is adsorbed on both sides of , the estimated ferromagnetic transition temperature of monolayer is 310 K, and it can be further enhanced to 430 K under a compressive strain of –4%. Moreover, by performing 0.05 hole or 0.05 electron doping in monolayer, 100% spin polarization at the Fermi energy in either the spin-down or spin-up channel can be effectively achieved, indicating that a double-gate-controlled field-effect spin filter based on monolayer can be designed for potential application in spintronic devices.