Stabilization of ferromagnetism in carbon doped Mg_(n-2)Mn_2O_n clusters

摘要

We present density functional theory-based first principles study of magnetic properties of Mn-doped Mgn-2Mn2On. 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.