Abstract

Crystal field parameters and zero field splitting parameters of Cr³⁺ doped β-Ga_{2O3 single crystals are computed with the help of superposition model. The appropriate sites for Cr³⁺ ions in β-Ga2O3 with distortion are adopted for calculation. The experimental values of zero field splitting parameters are in good match with the theoretical ones when local distortion is included into computation. The optical energy band positions for Cr³⁺ in β-Ga2O3 are calculated using crystal field parameters and Crystal Field Analysis Program. The results indicate that Cr³⁺ ions substitute at GaII3+ octahedral sites in β-Ga2O3 single crystals.}

Keywords: Superposition model; Crystal field; Zero-field splitting; Optical spectroscopy; Cr³⁺ ions in β-Ga_2O3