Article ID Journal Published Year Pages File Type
5400218 Journal of Luminescence 2014 6 Pages PDF
Abstract
The exchange charge model of crystal field theory has been used to analyze the ground state absorption of Ni2+ ions in CsCdBr3 and CsMgBr3 crystals. The parameters of crystal field were calculated from the available crystal structure data. The obtained Ni2+ energy level schemes were compared with the experimental absorption spectra; good agreement between the calculated and experimental data was demonstrated. Dependencies of the crystal field strength 10Dq on the “impurity ion-ligand” distance of the nearest Br− ions from Ni2+ ions were derived for both crystals and used to estimate the Stokes shift values for these crystals; all calculated results are close to the experimental data. The “critical” Ni-Br distances leading to the Ni2+ energy levels crossing were estimated; these results can be used for the analysis of the external hydrostatic pressure effects on the optical properties of the studied crystals.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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