Abstract

Lu3+, with the smallest ionic radii in lanthanide ions, is an important and beneficial cation for tuning spectrum shifting toward a longer wavelength by ion substitution in many phosphors for solid-state lighting. However, in the Lu3+-substituted garnet system, the phosphor always has smaller lattice parameters and exhibits a shorter emission wavelength than other garnet phosphors. The mechanism of such a spectral blue shift induced by the Lu3+-codoped garnet phosphor is still unclear. In this study, the local and electronic structures of Lu3+-codoped and Lu3+-undoped YAG:Ce3+ phosphor have been studied by first-principles calculation to reveal the origin of the spectral blue shift. Our results provide a full explanation of the experimental data and the methodology, which is useful to understand and design garnet phosphors with tunable emission characteristics.

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