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Proceedings Paper

First-principles study of electronic structure, defects, and activators in LiCaAlF6
Author(s): Mao-Hua Du; David J. Singh
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Paper Abstract

LiCaAlF6 (LiCAF) is a promising inorganic neutron scintillator material. Here, we report the electronic structure as well as properties of the small hole polaron, F center, and activators (e.g., Ce) in LiCAF based on first-principles calculations. These results are discussed in the context of carrier transport and trapping in LiCAF. We also discuss the approach to reduce reabsorption of Ce emission by the F centers, thereby suppressing afterglow in LiCAF:Ce after exposure to X- or gamma-ray.

Paper Details

Date Published: 26 September 2013
PDF: 8 pages
Proc. SPIE 8852, Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV, 885205 (26 September 2013); doi: 10.1117/12.2022864
Show Author Affiliations
Mao-Hua Du, Oak Ridge National Lab. (United States)
David J. Singh, Oak Ridge National Lab. (United States)

Published in SPIE Proceedings Vol. 8852:
Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV
Michael Fiederle; Arnold Burger; Larry Franks; Ralph B. James, Editor(s)

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