Abstract
The electronic and magnetic properties of Cr-doped cadmium chalcogenides, Cd1-xCrxS and Cd1-xCrxSe (x = 0.125 are presented using supercell approach. The calculations have been performed using full potential Linear Augmented Plane Wave (FPLAPW) method within generalized gradient approximation (GGA) as exchange-correlation (XC) potential. The calculated results show that the doping of Cr induces the ferromagnetism in both compounds and the resultant compounds show robust half metallicity and 100% spin polarization at Fermi level (EF). The band gap for both compounds disappears from majority spin. Thus the compounds behave as dilute magnetic semiconductors (DMS) showing metallic property in majority and semiconducting for minority spin channels which is best suited for spintronic applications. The total magnetic moments of these compounds are mainly due to Cr-d states present at EF with negligible contribution from other atoms.
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