期刊
JOURNAL OF APPLIED PHYSICS
卷 112, 期 12, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4770469
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资金
- U.S. DOE Office of Nonproliferation Research and Development [NA22]
LiCaAlF6 (LiCAF) is a promising inorganic neutron scintillator material. Here, we report the electronic structure as well as properties of the small hole polaron and F center in LiCAF based on first-principles calculations. The results suggest that lowering the Fermi level by acceptor doping will stabilize F+ against F- and reduce the reabsorption of Ce emission by F centers in LiCAF:Ce3+, thereby increasing light yield and radiation resistance. (c) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4770469]
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