DFT Study of Half Metallic Ferromagnetism in Zn1-xCrxS Alloys

We have applied the full-potential linearized augmented plane wave (FP-L/APW) method based on spin-polarized density functional theory (DFT) to investigate the electronic and magnetic properties of chromium doped Zn1-xCrxS in the zinc-blende phase with doping concentrations of x= 0.25, 0.50 and 0.75. Electronic band structures and density of states show 100% spin polarization (half metallicity) with ferromagnetic exchange interaction except at higher doping level. These ZnS based half metallic ferromagnets seem to have virtuous applications for future spintronic devices.