Calculations of spin Hamiltonian parameters and analysis of trigonal distortions in LiSr(Al,Ga)F6:Cr3+ crystals

The effective spin-Hamiltonian (SH) parameters (zero-field splitting D and g factors g∥ and g⊥) for Cr3+ ions in LiSr(Al,Ga)F6 crystals are calculated from the complete high-order perturbation formulae for a d3 ion. Parameters of trigonal crystal field acting on the Cr3+ ion are calculated. The magnitude of trigonal distortion of the [CrF6]3− clusters is related to the experimental measurements of the spin-Hamiltonian parameters in the considered systems. Since in both crystals g∥