First principles study of half-metallic ferromagnetism in (N, P, As and Sb) doped alkaline-earth sulfides

► The structural, electronic and magnetic properties of alkaline-earth sulfides (MgS, CaS and SrS) incorporated with group V elements (N, P, As and Sb) have been studied. ► Nonmagnetic dopants can induce half-metallicity in alkaline earth sulfides. ► LSDA and GGA results about half-metallic ferromagnetic state is differ. ► Half-metallic gap, exchange energies have been calculated.