Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr3, BaI2, and SrI2
Artikel i vetenskaplig tidskrift, 2017

Materials for scintillator radiation detectors need to fulfill a diverse set of requirements such as radiation hardness and highly specific response to incoming radiation, rendering them a target of current materials design efforts. Even though they are amenable to cutting-edge theoretical spectroscopy techniques, surprisingly many fundamental properties of scintillator materials are still unknown or not well explored. In this work, we use first-principles approaches to thoroughly study the optical properties of four scintillator materials: NaI, LaBr3, BaI2, and SrI2. By solving the Bethe-Salpeter equation for the optical polarization function we study the influence of excitonic effects on dielectric and electron-energy loss functions. This work sheds light into fundamental optical properties of these four scintillator materials and lays the ground-work for future work that is geared toward accurate modeling and computational materials design of advanced radiation detectors with unprecedented energy resolution. Copyright © Materials Research Society 2016.

electron energy loss spectroscopy (EELS)NiAl

electronic structure

optical properties


A. Schleife

University of Illinois

Xiao Zhang

University of Illinois

Qi Li

University of Illinois

IBM T.J. Watson Research Center Yorktown Hts.

Paul Erhart

Chalmers, Fysik, Material- och ytteori

Daniel Åberg

Lawrence Livermore National Laboratory

Journal of Materials Research

0884-2914 (ISSN)

Vol. 32 56-63


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