Sublattice dependent magnetic response of dual Cr doped graphene monolayer: a full potential approach

Abstract

In the present scenario, many researchers are exploring the possibility of inducing a magnetic channel in graphene by introducing various types of defects. To examine the Cr–Cr interactions in dual Cr doped graphene monolayer for magnetic response and spin polarization, the first-principles density functional theory based calculations are performed. Further, the possibility of achieving 100 % spin polarization in various possible configurations of dual Cr-doping have been explored. Dual doping of Cr atoms in graphene monolayer preferring ferromagnetic ordering, generates a spin magnetic state with a local moment of ~4.00 µ_B. Depending upon the relative position of two Cr impurities in graphene, the ground states of doped systems are found be ferromagnetic, antiferromagnetic or paramagnetic. The origin of particular magnetic state observed in all possible dual Cr-doping configurations has been explained on the basis of RKKY indirect exchange interactions.

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