Analysis of ZFS parameters and local structure in Cr3+ ion doped into A2CdF4 (A = Cs, K) fluorine compounds

- Theoretical investigations of the Cr3+ centers in Cs2CdF4 and K2CdF4 carried out.
- Structural models for centers presented by analyzing EPR data.
- Li+ at Cd2+ vacancy leads less distortion on OR center IV than OR center III found.
- Three different structural models have been examined for OR Cr3+ centers.

An investigation of the zero-field splitting (ZFS) of Cr3+ ions at the centers with the tetragonal (TE) and orthorhombic (OR) symmetries has been carried out in Cr3+ ion doped into A2CdF4 (A = Cs, K) fluorine compounds in the frame of semi-empirical superposition model (SPM). Various structural formations, namely uncompensated Cr3+ center (TE center I), Cr3+-VM (OR center III) and Cr3+-Li+ (OR center IV), and the relevant distortions have been verified in Cs2CdF4 and K2CdF4 crystals. Three different structural models have been examined for OR Cr3+ centers. The reasonableness of these structural models has been discussed.