Magnetism and electronic structure of the intermetallic compound Ce5CuBi3

Abstract

We have studied the electronic structure as well as magnetic, electronic transport and thermodynamic properties of the intermetallic compound Ce5CuBi3. It was found that Ce5CuBi3 undergoes three successive phase transitions at 25 K, 13.7 K and 3.5 K. We attribute the multiple magnetic phase transition to be associated with the two non-equivalent magnetic sublattices of the magnetic Ce ions. The investigated compound is characterized by an enhanced ratio Cp /T at 2 K, which may be interpreted as being due to the nearness of the 4f-level to the Fermi level and some contribution of magnon excitation. The core-level photoemission spectra indicate that Ce ions in Ce5CuBi3 are very close to trivalent which is consistent with the magnetic susceptibility data. The calculated band structures using the scalar-relativistic linear muffin-tin orbital method in the atomic sphere approximation and the all-electron full potential linear augmented plane wave plus local orbitals method have been performed for the non-magnetic ground state and as well as for collinear ferromagnetic and ferrimagnetic spin alignments. The largest stabilization energy is found in the case of a ferromagnetic structure. The calculated moments on the two sites of the Ce atoms are in agreement with the experimental value (0.93 μ B /Ce). The calculations predict that the studied compound has a pseudogap in the DOS curve. Analysis of the partial DOS suggests some differences in hybridization strengths between the Ce-Bi and Ce-Cu orbitals.