Studies of the crystal field energy levels and g factors for Ce in LiYF4 crystal

The five observed crystal field energy levels and EPR g factors g_//and g_⊥ for Ce³⁺-doped LiYF₄ crystal are calculated together from a complete diagonalization (of energy matrix) method. In the method, the contributions to g factors of ground Kramers doublet from all the rest doublets within the ground and excited manifolds ²F_5/2 and ²F_7/2 are included. The calculated results show reasonable agreement with the experimental values. The calculations suggest that the crystal field parameter B₂₀ > 0 in LiYF₄: Ce³⁺ crystal. The opinion of the parameter B₂₀ < 0 in the previous paper is not correct. Since this opinion is based on the calculation of g factors using a very simple method where only the contributions to g factors from the doublets within the ground manifold ²F_5/2 are considered, it is suggested that this simple method is not effective in the calculation of g factors for 4f¹ ions in crystals.