Open AccessOrigin of Spectral Blue Shift of Lu3+-Codoped YAG:Ce3+ Phosphor: First-Principles Study
Author(s) -
Jiyou Zhong,
Wenzhu Zhao,
Weidong Zhuang,
Weiping Xiao,
Yisong Zheng,
Fu Du,
Ligen Wang
Publication year - 2017
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.7b00304
Subject(s) - phosphor , ionic radius , ion , wavelength , materials science , lanthanide , blueshift , doping , solid state , analytical chemistry (journal) , optoelectronics , chemistry , photoluminescence , organic chemistry , chromatography
Lu 3+ , 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 Lu 3+ -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 Lu 3+ -codoped garnet phosphor is still unclear. In this study, the local and electronic structures of Lu 3+ -codoped and Lu 3+ -undoped YAG:Ce 3+ 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.