Abstract
We studied the spin polarized electronic band structures and magnetic properties of the diluted magnetic semiconductor Cd1-xMnxS in Zinc Blende phase (B3) with 0.0625 Mn by using ab initio method. The calculations were performed by using Density Functional Theory as implemented in the Spanish Initiative for Electronic Simulations with Thousands of Atoms code using local density approximation (LDA). Calculated electronic band structures and magnetic properties of Cd1-xMnxS are discussed in terms of contribution of Mn 3d(5) 4s(2), Cd 4d(10) 5s(2), S 3s(2) 3p(4) orbitals. The total magnetic moment is found to be 5.00 mu b for Cd1-xMnxS at x=0.0625. This value indicate that Mn atom adds no hole carrier to the perfect CdS crystal. We found that Mn doped systems are ferromagnetic. Calculated results are in good agreement with previous studies.