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Atomic structure (a) and sketch map (b) of Fe/graphene bilayer.
The orbital-resolved density of states for the Fe atom in (a) freestanding Fe monolayer, (b) neutral Fe/graphene system, and (c) charged Fe/graphene system with 1.0 e/unit cell. Vertical arrows indicate the major distribution change in state.
Dependence of the MAE on the injected charge.
The calculated spin and orbital magnetic moments (in units of μ B) M s and M L, and the magnetocrystalline anisotropy energy (MAE, in units of meV). Fe and Fe/Gra indicate the freestanding Fe monolayer and the neutral Fe/graphene system, respectively. +e indicates the charged Fe/graphene system with 1.0 e/unit cell.
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