Faculty Publications


Correlation-crystal-field `δ-function' analysis of Pr3+(4f2) energy-level structure

Document Type


Publication Date

March 1997


Inclusion of two-electron correlation-crystal-field (CCF) contributions to the model (energy-level) Hamiltonian has been shown to resolve disparities between calculated and observed energy-level splittings within problematic multiplet manifolds of Nd3+ and Er3+ systems. Application of these CCF terms to other problematic multiplets, such as the 1G4 and 1D2 multiplets of Pr3+ has not been feasible, owing to the fact that the number of applicable CCF terms far exceed the number of observed levels in these multiplets. However, this problem may be obviated by use of a simplified `δ-function' CCF model that assumes the dominant contributions to the CCF interactions come from paired electrons within the same orbital. In the present study, we examine the 4f2(Pr3+) electronic energy-level structures reported for Pr3+:LaCl3, Pr3+:GdCl3, Pr3+:Cs2NaYCl6 and Cs2NaPrCl6 systems and show that inclusion of δ-function CCF interaction parameters resolves the disparities between observed and calculated energy-level splittings for the problematic 1G4 and 1D2 multiplets of these systems.

Journal Title

Journal of Alloys and Compounds