Abstract
From an analysis of the observed polarized absorption spectra of trivalent neodymium (Nd 3+ 4f 3) in single-crystal hexagonal (A-type) neodymium sesquioxide (Nd 2O 3), we have made assignments to individual crystal electric field (Stark) levels of multiplet manifolds 4I J , 4F J , 4G 5/2, 4S 3/2, 2H J (2), and 2G J . Crystal-field splitting calculations of these manifolds were initiated by first determining a set of crystal-field splitting parameters, B nm , from the detailed positions of the ions in the lattice as established from an analysis of the X-ray crystallography of A-type Nd 2O 3. Without any adjustment of parameters, the calculated energy levels and the symmetry representation predicted for each Stark level are in reasonable agreement with the experimental assignments. To improve the overall agreement between the results obtained from the calculations and the experimental data, we carried out a least-squares fitting analysis which gave us a final rms deviation of 4 cm −1 between 45 calculated and experimental levels. Our calculations also explain the results obtained from the magnetic susceptibility data for powdered A-type Nd 2O 3, and predict the Schottky levels obtained from an analysis of the electronic heat capacity.
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