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Doped transition-metal dichalcogenides monolayers exhibit exciting magneticproperties for the benefit of two-dimensional spintronic devices. Using densityfunctional theory (DFT) incorporating Hubbard-type of correction (DFT$+U$) toaccount for the electronic correlation, we study the magnetocrystallineanisotropy energy (MAE) characterizing Mn-doped MS$_2$ (M=Mo, W) monolayers. Asingle isolated Mn dopant exhibits a large perpendicular magnetic anisotropy of35 meV (8 meV) in the case of Mn-doped WS$_2$ (MoS$_2$) monolayer. This valueoriginates from the Mn in-plane orbitals degeneracy lifting due to thespin-orbit coupling. In pairwise doping, the magnetization easy axis changes tothe in-plane direction with a weak MAE compared to single Mn doping. Ourresults suggest that diluted Mn-doped MS$_2$ monolayers, where the Mn dopantsare well separated, could potentially be a candidate for the realization ofultimate nanomagnet units.

DFT+U Investigation of magnetocrystalline anisotropy of Mn-doped transition-metal dichalcogenides monolayers