Luminescence of Ce ³⁺ -Doped MB₂Si₂O₈ (M = Sr, Ba): A Deeper Insight into the Effects of Electronic Structure and Stokes Shift

Journal Article · Fri Dec 18 00:00:00 EST 2015 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.5b10355· OSTI ID:1239321

Peng, Qi ^[1]; Liu, Chunmeng ^[1]; Hou, Dejian ^[1]; Zhou, Weijie ^[1]; Ma, Chong-Geng ^[2]; Liu, Guokui ^[3]; Brik, Mikhail G. ^[2]; Tao, Ye ^[4]; Liang, Hongbin ^[1]

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1. Sun Yat-Sen Univ., Guangzhou, (China)
2. Chongqing Univ. of Posts and Telecommunications (China)
3. Argonne National Lab. (ANL), Argonne, IL (United States)
4. Chinese Academy of Sciences (CAS), Beijing (China)

A series of Sr _{1 -2x} Ce_xNa_xB₂Si₂O₈ and Ba _1-2x Ce_xK_xB₂Si₂O₈ (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce ³⁺ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce ³⁺2Si₂O₈ (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB₂Si₂O₈ were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce ³⁺

• Research Organization: Argonne National Lab. (ANL), Argonne, IL (United States)
• Sponsoring Organization: National Natural Science Foundation of China (NNSFC)
• DOE Contract Number: AC02-06CH11357
• OSTI ID: 1239321
• Journal Information: Journal of Physical Chemistry. C, Vol. 120, Issue 1; ISSN 1932-7447
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English