Study of Half Metallicity in Mn, Fe and Mn/Fe Co-doped Cubic ZnS by First-principles

The electronic and magnetic properties of Mn, Fe and MnFe co-doped ZnS with zinc blende structure are studied by using first-principle's method. The ZnS doped with Mn and Fe is determined to be half-metallic, while MnFe co-doped ZnS is found to be semiconducting. Mn and Fe ions show long-range interactions that are mediated by magnetic moments induced in anions and cations of ZnS (host) semiconductor. These transition metal doped ZnS based half metallic ferromagnets seem to be good candidates for the future spintronic applications.