Abstract
Using density functional theory we show that the interaction between two Mn atoms can be tuned from anti-ferromagnetic (AFM) to ferromagnetic (FM) state by creating charge disproportion between the two on a 2D surface. The non-metallic planar heterostructures, the 2D surface, in our work is designed by doping carbon hexagon rings in a hexagonal boron nitride (h-BN) sheet. In addition, we show that an external electric field can be used to control the charge disproportion and hence the magnetism. In fact, our calculations demonstrate that the magnetic states of the dimer can be switched from AFM to FM or vice versa in an external electric field. The origin of this magnetic switching is explained using the charge transfer from (or to) the Mn dimer to (or from) the 2D material. The switching between anti-ferromagnetic to ferromagnetic states can be useful for future spintronic applications.
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