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Ca2+/Sr2+/Ba2+ dependent phase separation,nanocrystallization and photoluminescence in fluoroaluminosilicate glass
Authors:Xiuxia Xu  Junjie Zhao  Xiaotong Chen  Qian Xu  Ting Wang  Siu Fung Yu  Xuhui Xu  Xvsheng Qiao  Jincheng Du  Xianping Fan  Jianbei Qiu  Guodong Qian
Affiliation:1. State Key Laboratory of Silicon Materials &, School of Materials Science and Engineering, Zhejiang University, Hangzhou, China

Department of Materials Science and Engineering, University of North Texas, Denton, TX, USA

The authors contributed equally to the paper.;2. State Key Laboratory of Silicon Materials &, School of Materials Science and Engineering, Zhejiang University, Hangzhou, China;3. Department of Applied Physics, Hong Kong Polytechnic University, Hong Kong, China;4. School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, China;5. Department of Materials Science and Engineering, University of North Texas, Denton, TX, USA

Abstract:Fluoride phase separation is the initial stage of nanocrystallization in oxyfluoride glasses, and it is a key step in achieving transparent glass-ceramics with good luminescence. In this work, we combine molecular dynamics (MD) simulations and experimental studies to investigate the phase separation, nanocrystallization and photoluminescence in fluoroaluminosilicate glass and glass-ceramics containing alkali earth fluoride (MF2). The results reveal different phase separation behaviors due to the field strength difference of M2+. The composition and size similarity between the fluoride-rich regions in the MD simulated glass and the fluoride nanocrystals in the experimental prepared glass-ceramics are observed, suggesting that the separated fluoride phase is the structural origin of the observed MF2 nanocrystals. Besides, in order to understand the M2+ dependent glass structural features, the crystallization temperatures, the luminescent properties of Eu3+ and Eu2+ doped glass-ceramics, and the lasing performance of Er3+ doped glass-ceramics are discussed. Based on these comprehensions, some strategies are proposed to help to efficiently design oxyfluoride glass with desired luminescence performance.
Keywords:alkali earth cations  crystallization  field strength  fluoroaluminosilicate glass  molecular dynamics simulations  phase separation
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