skip to main content

DOE PAGESDOE PAGES

Title: Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr 3, BaI 2, and SrI 2

In this paper, 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, LaBr 3, BaI 2, and SrI 2. 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.
Authors:
 [1] ;  [1] ;  [1] ;  [2] ;  [3]
  1. Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States)
  2. Chalmers Univ. of Technology, Gothenburg (Sweden)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Report Number(s):
LLNL-JRNL-700065
Journal ID: ISSN 0884-2914; applab
Grant/Contract Number:
AC52-07NA27344
Type:
Accepted Manuscript
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 32; Journal Issue: 01; Journal ID: ISSN 0884-2914
Publisher:
Materials Research Society
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY; electronic structure; optical properties; electron energy loss spectroscopy (EELS)NiAl
OSTI Identifier:
1438725