Lattice and binding energies of cubic lanthanide sesquioxides

Abstract

Cohesive, Madelung and automisation energies have been calculated for c-Ln2O3 (Ln=Pr-Yb). It has been found that about 85% of the lattice energies pertain to the Coulomb interactions. The binding energies of 5p, 5s, 4f and 1s electrons in these oxides have been evaluated by addition of the Madelung potentials at Ln3+ and O2- ion sites and the electric polarisation to the free-ion levels. The results have been compared with X-ray photoelectron spectroscopy data.