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 1.22μ_B . Ferromagnetic coupling is generally observed between these magnetic moments. A transition temperature of 270K is predicted through Monte Carlo simulation. The ferromagnetism of C doped CdS can be explained by the hole-mediated double exchange mechanism.