First-principles study on the electronic structure of CeAuSb2CeAuSb2

The electronic band structure of CeAuSb2CeAuSb2 has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure with the spin-orbit interaction and on-site Coulomb potential for the Ce-derived 4f orbitals to obtain the correct ground state of CeAuSb2CeAuSb2.