INVESTIGATIONS ON THE ELECTRONIC AND MAGNETIC PROPERTIES OF CeRh₂Ge₂

초록

The electronic and magnetic properties of CeRh₂Ge₂ are studied by band structure calculation based on the density functional theory within LDA, LDA + U and fully relativistic schemes. The Ce f-bands are located near the Fermi energy EF and hybridize weakly with the Rh-4d bands. The exchange interaction between local f electrons and conduction electrons play an important role in the heavy fermion characters of them. The electronic structure with the spin-orbit interaction and on-site Coulomb potential for the Ce-derived 4f orbitals was calculated for the correct ground state of CeRh₂Ge₂. The fully relativistic band structure scheme shows that spin-orbit coupling splits the Ce 4f states into two manifolds. When the Coulomb potential is added to the Ce 4f orbitals, the degeneracy between the different f orbitals is lifted and they are split into lower Hubbard bands and upper Hubbard bands.

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