RESEARCH

Our research interest is in the broad area of Computational Materials Science. Focus is in understanding the functional properties of Heusler alloys and transport properties in low dimensional systems through first principles calculations. Heusler alloys of both ternary and quaternary types are considered with special interest on the microscopic mechanisms associated with the characteristic structural and magnetic transformations in order to predict systems with enhanced properties. As for low dimensional systems, interest is in layered structures as prospective materials to be used in solar cell devices and nuclear reactors. Recently we have broadened our research area in alternative plasmonic materials. For this, we are focusing on the study of electronic and optical properties of transition metal nitrides.