Local Density Band Theory Calculations of Magnetic and Magneto- Optical Properties of Use

Authors: İbrahim AVGIN

Abstract: A study has been conducted to investigate magnetic and magneto-optical properties of USe using spin and orbitally polarized full-potential linear muffin-tin orbital (LMTO) method. USe belongs to a class of uranium compounds known as correlated electron systems. We have calculated diagonal and off-diagonal conductivity tensor elements from electronic band structure and compared them with experimental results. Band theory calculations reproduced diagonal conductivity (related to optical transitions) quite well while off-diagonal conductivity (magneto-optical transitions) agrees poorly with experiment. We mention briefly a possible improvement of band theory.