Theoretical Investigation of Half Metallicity in Cobalt Doped ZnS: DFT Studies

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The structural, electronic and magnetic properties of un-doped and cobalt doped Zn1-xCoxS (x= 0.25, 0.50 and 0.75) were investigated by full-potential linearized augmented plane wave (FP-L/APW) method based on spin-polarized density functional theory (DFT) employed in the elk code. To investigate half metallic properties of doped ZnS, exchange-correlation functional was studied using simple generalized gradient approximation (GGA) method. We have found half-metallic behavior in Co substituted ZnS which seems to be a good candidate for future spintronic devices.