Electronic structure and magnetism of CeCoGe3

摘要

The electronic band structure of CeCoGe3 has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on 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 CeCoGe3. The exchange interaction between local f electrons and conduction electrons play an important role in their heavy fermion characters. The fully relativistic band structure scheme shows that spin-orbit coupling splits the 4f states into two manifolds, the 4f(7/2) and the 4f(5/2) multiplets. (C) 2006 Elsevier Ltd. All rights reserved.