Photon cascade emission in Pr3+ doped fluorides with CaF2 structure: Application of a model for its prediction

•LFDFT calculations of binary and ternary Pr3+ doped fluorides.•Fluorescence spectra of Pr3+ doped fluorides.•Comparison of the calculations with the fluorescence spectra.•Understanding of photon cascade emission (PCE) considering structural distortions. In this work, we predict and measure the opti...

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Bibliographic Details
Published in:Chemical physics letters 2015-01, Vol.620, p.29-34
Main Authors: Herden, Benjamin, García-Fuente, Amador, Ramanantoanina, Harry, Jüstel, Thomas, Daul, Claude, Urland, Werner
Format: Article
Language:English
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Summary:•LFDFT calculations of binary and ternary Pr3+ doped fluorides.•Fluorescence spectra of Pr3+ doped fluorides.•Comparison of the calculations with the fluorescence spectra.•Understanding of photon cascade emission (PCE) considering structural distortions. In this work, we predict and measure the optical behaviour of Pr3+ in different binary and ternary fluorides. We use a validated model based on Ligand Field Theory and Density Functional Theory to calculate the multiplet energy levels arising from the ground [Xe]4f2 and excited [Xe]4f15d1 electron configurations of Pr3+ in its chemical environment. Moreover, the luminescence spectra of the considered materials were recorded. In overall the theoretical determination corroborates to the experimental findings. The phenomenon of the photon cascade emission is particularly stressed, being important for the design of modern phosphors with quantum efficiencies larger than 100%.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2014.12.013