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.

optical properties

electronic structure

electron energy loss spectroscopy (EELS)NiAl


A. Schleife

University of Illinois at Urbana-Champaign

Xiao Zhang

University of Illinois at Urbana-Champaign

Qi Li

IBM T.J. Watson Research Center Yorktown Hts.

University of Illinois at Urbana-Champaign

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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