Magnetic parameters of p2,4, dt22,4, and d2 configurations in axial symmetric crystal fields

Abstract

The energies and wavefunctions of a p2,4 configuration under the influence of a crystal field possessing axial symmetry are calculated. If the crystal field parameter Δ is smaller than, or of the order of, the Slater-Condon parameter F2, the 3P wavefunctions have the lowest energies. In that case one finds, depending on the sign of Δ, that either an orbital doublet or an orbital singlet has the lowest energy. For the latter, the fine structure parameters, the g values, and the hyperfine parameters are calculated. Using an irreducible tensor formalism, it is shown that the results for p2,4 can be used to find the interactions within dt22,4. Tetragonal as well as trigonal symmetry are treated and it is found that the hyperfine interactions differ substantially for both cases. Finally, the interactions within 3F(d2) under the influence of a crystal field possessing tetragonal symmetry are treated.