Magnetic properties in zinc-blende CdS induced by Cd vacancies

Abstract The magnetic property induced by neutral Cd and S vacancies in CdS bulk and thin film are investigated, using first principles simulation. For bulk CdS, the magnetism originates from Cd, instead of S, vacancies. The ferromagnetism with a Curie temperature above room temperature can be expected. For CdS thin film, both Cd and S vacancies does not yield any magnetism at the (111) surface, while local magnetic moments at the outermost S plane of the (001) surface is ascribed to the surface effect. The ferromagnetism at S-terminated (001) surface can account for the experimental observation.