The local structure of SrLaGaO4 : Cr3+ crystal

摘要

The local tetragonal distortion in the vicinity of substitutional Cr3+ impurities in SrLaGaO4 crystal was determined by fitting the calculated optical spectra and EPR parameter to the experimental values based on Zhao's semi-SCF d-orbit wave functions model of free Cr3+ ions, the point-charge crystal field model and Macfarlane's perturbation loop method. This paper found that the local structures of SrLaGaO4 were: R-perpendicular to' = 0. 1907 nm and R-parallel to' = 0.2237 mn (where R-perpendicular to' and R-parallel to' denoted Cr3+-O2- distances perpendicular to and parallel with the C-4 axis). The results agreed well with the experimental findings.