Investigation of Localized Cluster Structure and Spectral Properties of Er-Doped PbF2 Crystals

Abstract

Abstract: In this paper, a series of Er∶PbF₂ crystals were successfully grown by Bridgman method. The first-principles calculation based on the density functional theory was applied to investigate the clustering effect of Er³⁺ in PbF₂ crystals in details. The relationship between the up-conversion (UC) luminescence properties (luminescence intensity, color variation) and the cluster structure in Er∶PbF₂ crystals was obtained for the first time. It is found that as Er³⁺ concentration increases, the clusters evolve from monomers to higher-order configurations, with the distance between Er³⁺ ions decreasing and then increasing, resulting in the intensity of the red emission in the UC fluorescence first increasing and then decreasing, and the red-green luminescence ratio also decreases after the Er³⁺ concentration is higher than 6.5% (mole fraction), indicating that the luminescence color can be adjusted from red to yellow-green. This study proves that the structural evolution of rare-earth ion clusters could regulate the spectroscopic properties of Er∶PbF₂, which provides a novel method for the design of multi-color luminescent materials.

Key words: Er∶PbF₂ crystal, up-conversion luminescence, density functional theory, erbium cluster, spectral property

CLC Number:

O782

LI Lin, ZHANG Peixiong, TAN Juncheng, ZHU Siqi, YIN Hao, LI Zhen, CHEN Zhenqiang. Investigation of Localized Cluster Structure and Spectral Properties of Er-Doped PbF₂ Crystals[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2024, 53(7): 1112-1120.

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Investigation of Localized Cluster Structure and Spectral Properties of Er-Doped PbF₂ Crystals

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