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

Abstract

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 A<inf>2</inf>CdF<inf>4</inf> (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+-V<inf>M</inf> (OR center III) and Cr3+-Li+ (OR center IV), and the relevant distortions have been verified in Cs<inf>2</inf>CdF<inf>4</inf> and K<inf>2</inf>CdF<inf>4</inf> crystals. Three different structural models have been examined for OR Cr3+ centers. The reasonableness of these structural models has been discussed. © 2016 Elsevier B.V., All rights reserved.