Effect of impurity ions configurations on the magnetic properties of Mn-doped ZnO

Abstract

The magnetic and electronic properties of Mn-doped ZnO are studied by first-principles calculations. It is found that the exchange interaction between Mn ions depends on the Mn–Mn distribution configuration and distance. We also found that the ferromagnetism can be existed when the Mn–Mn distance is large and Mn ions are distributed uniformly, and the long ranged ferromagnetism is explained by the interaction between Mn and O atoms. Thus, it is possible to tune ferromagnetism in Mn-doped ZnO semiconductors by controlling the doping position in ZnO lattice.