Stabilization of ferromagnetism in carbon doped Mgn−2Mn2On clusters

Abstract

We present density functional theory-based first principles study of magnetic properties of Mn-doped Mg[Formula: see text]Mn2On clusters. Mn-doped MgnOn clusters are found to exhibit antiferromagnetic order. We show that ferromagnetic state can be stabilized by codoping with carbon at oxygen site. Our study suggests that the holes created due to C doping are responsible for the stabilization of ferromagnetism.