FIRST-PRINCIPLES STUDIES ON THE ELECTRONIC STRUCTURE OF CePd_3

摘要

The electronic band structure of CePd_3 has been studied using the self-consistent full-potential non orthogonal local-orbital minimum-basis scheme based on the density functional theory. We also investigated the electronic structure with the spin-orbit interaction to obtain the correct ground state of CePd_3. The fully relativistic band structure scheme shows that spin-orbit coupling splits the 4f states into two manifolds.