Energies and electronic energy levels of lanthanide dioxides
- 10 September 1981
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 14 (25) , L757-L759
- https://doi.org/10.1088/0022-3719/14/25/003
Abstract
Lattice, Madelung and atomisation energies have been calculated for stoichiometric CeO2, PrO2 and TbO2. It has been found that the point-charge interactions account for 86% of the cohesive energy. The positions of 6s, 5d, 4f, 2p and 1s energy levels in these crystals have been estimated considering the Madelung potentials at Ln4+ and O2-ion sites as well as the electric polarisation. The obtained values have been compared with recent X-ray photoelectron spectroscopy (XPS) data.Keywords
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