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In atomic GdFe2 films capped by 4d and 5d transition metals, we show that skyrmions with diameters smaller than 12 nm can emerge. The Dzyaloshinskii–Moriya interaction (DMI), exchange energy, and the magnetocrystalline anisotropy (MCA) energy were investigated based on density functional theory. Since DMI and MCA are caused by spin–orbit coupling (SOC), they are increased with 5d capping layers which exhibit strong SOC strength. We discover a skyrmion phase by using atomistic spin dynamic simulations at small magnetic fields of ∼1 T. In addition, a ground state that a spin spiral phase is remained even at zero magnetic field for both films with 4d and 5d capping layers.

First-Principles Prediction of Skyrmionic Phase Behavior in GdFe2 Films Capped by 4d and 5d Transition Metals