Effect of correlation and spin-polarisation on the band structure of metallic dysprosium

Abstract

Energy bands of dysprosium have been calculated considering the effects of correlation and spin-polarisation. The exchange and correlation contributions to the spherically symmetric crystalline potential have been taken in the forms suggested by (i) Kohn and Sham and (ii) Overhauser. The exchange and correlation potential of von Barth and Hedin has been used to study the effect of spin-polarisation on the band structures. The resulting bandwidth, density of states, magnetic moment and spin-splitting have been computed and compared with experimental results. Some discrepancies remain; theoretical calculations done so far agree reasonably among themselves, so accurate experimental data are probably called for.