Magnetic properties of carbon doped CdS: A first-principles and Monte Carlo study

Carbon doping of CdS is studied using first-principles calculations and Monte Carlo simulation. Our calculations predict ferromagnetism in C doped CdS, resulting from carbon substitution of sulfur. A single carbon substitution of sulfur favors a spin- polarized state with a magnetic moment of 1.22 mu(B). Ferromagnetic coupling is generally observed between these magnetic moments. A transition temperature of 270 K is predicted through Monte Carlo simulation. The ferromagnetism of C doped CdS can be explained by the hole- mediated double exchange mechanism.