Abstract
The structural, magnetic properties, and mechanism of magnetization of SnO monolayer doped with 3d transition metal Mn atom were studied using first-principles calculations. The calculated results show that the substitution doping is easier to realize under the condition of oxygen enrichment. Numerical results reveal that the spin-splitting defect state of the Mn doped system is produced in the band gap and the magnetic moment of 5.0 μB is formed. The induced magnetic moment by Mnsub is mostly derived from the 3d orbital of the doped Mn atom. The magnetic coupling between magnetic moments caused by two Mn atoms in SnO monolayer is a long-range ferromagnetic, which is due to the hole-mediated p–p and p–d interactions. The calculated results suggest that room-temperature ferromagnetism in a SnO monolayer can be induced after substitutional doping of a Mn atom.
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