| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5373124 | Chemical Physics | 2016 | 6 Pages |
â¢Theoretical investigations of the Cr3+ centers in Cs2CdF4 and K2CdF4 carried out.â¢Structural models for centers presented by analyzing EPR data.â¢Li+ at Cd2+ vacancy leads less distortion on OR center IV than OR center III found.â¢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 (AÂ =Â 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.
