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The electronic structures, magnetic properties, half-metallicity and optical properties of Zn1-xMoxS (x=0.00, 0.25, 0.50, 0.75, 1.00) are studied by spin-polarized first-principles calculation. Excepting the Zn0.5Mo0.5S system with a tetragonal structure, the other systems Zn1-xMoxS (x=0.00, 0.25, 0.75, 1.00) are all in the cubic structure. The lattice constants (volumes) of the Mo doped systems are...
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