First Principles Investigation of Ferromagnetism for Zn1-xMnxY(Y = S, Se, Te)

Through first-principles full-potential linear muffin-tin orbital (FP-LMTO) method within the local density approximation, we investigate the structural and electronic properties of Zn1-xMnx Y (VIa) where Y represent an element of the VIa column(S, Se and Te) compounds-based diluted magnetic semiconductors (DMS) in the Zinc-blend structure. We have investigated the lattice parameters and band gap energies. The lattice constants a are found to change linearly for the Zn1-xMnxTe and Zn1-xMnxS alloy.