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

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.