Electronic and magnetic properties of a heavy fermion compound YbPd

The electronic and magnetic properties of YbPd are investigated by band structure calculation based on the density functional theory within LDA, LDA+ULDA+U, and fully relativistic scheme. The fully relativistic band structure scheme shows that spin–orbit coupling splits the 4f   states into two manifolds, the 4f7/24f7/2 and the 4f5/24f5/2 multiplet. When the Coulomb potential is added to the Yb 4f orbitals, the degeneracy between the different f orbitals would be lifted and they are split into lower Hubbard bands and upper Hubbard bands. The quasiparticle mass enhancement inferred by comparing γ to the DOS at the Fermi level indicates that YbPd is highly enhanced.