Defect-Induced Magnetism in BaZnF4

By first-principles density functional theory with generalized gradient approximation(GGA), oxygen(nitrogen)-doped BaZnF$_{4}$ with O(N) substituting F at concentrations 3.125\% has been demonstrated to exhibt a ferromagnetic behavior. The results show that the strong localization of defect states favors spontaneous spin polarization and local moment formation. Defect manipulation mediates long-range magnetic interaction, which opens a new route to design high-\textit{Tc} diluted magnetic semiconductors(DMS).