Abstract
The electronic and magnetic properties of the cubic pyrite CoS2/FeS2 interface are studied using the all-electron full-potential linearized augmented plane wave method. We find that this contact between a ferromagnetic metal and a nonmagnetic semiconductor shows a metallic character. The CoS2 stays close to half-metallicity at the interface, while the FeS2 becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment is induced on the Fe atoms. Furthermore, at the interface ferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3511684]