THE LDA+U APPROACH FOR ELECTRONIC STRUCTURES OF YbNiGa
The electronic band structure of YbNiGa 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 on-site Coulomb potential for the Yb-derived 4f orbitals to obtain the correct ground state of YbNiGa. The exchange interaction between local f electrons and conduction electrons play an important role in the heavy fermion characters of them. The LDA+U band structure scheme splits the 4f states into lower Hubbard bands and upper Hubbard bands.
electronic band structure, Hubbard bands.