Abstract
The linear combination of atomic orbitals (-molecular orbitals) crystal-field theory in the context of the superposition model was used to calculate the intrinsic crystal-field parameters for ${\mathrm{Sm}}^{2+}$ ions in solids with Cl and F ligands at different interionic distances. The five main contributions: point charge, charge penetration, exchange, overlap, and covalency considered in the present work can reasonably describe the experimental results. A direct comparison between divalent and trivalent lanthanide ions leads to the conclusion that the initial intrinsic crystal-field parameters and the power-law exponents corresponding to the distance dependence for divalent lanthanide ions are larger than those for trivalent lanthanide ions.
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