Abstract

The effective spin-Hamiltonian (SH) parameters (zero-field splitting D and g factors g ∥ and g ⊥) for Cr 3+ ions in LiSr(Al,Ga)F 6 crystals are calculated from the complete high-order perturbation formulae for a d 3 ion. Parameters of trigonal crystal field acting on the Cr 3+ ion are calculated. The magnitude of trigonal distortion of the [CrF 6] 3− clusters is related to the experimental measurements of the spin-Hamiltonian parameters in the considered systems. Since in both crystals g ∥< g ⊥, [CrF 6] 3− clusters undergo an axial compression along the C 3 axis. Experimental values of the hyperfine structure constants A ∥ and A ⊥ are used to evaluate the core polarization constant κ for Cr 3+ ion in both crystals.

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