Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr3, BaI2, and SrI2

André Schleife, Xiao Zhang, Qi Li, Paul Erhart, Daniel Åberg

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)56-63
Number of pages8
JournalJournal of Materials Research
Volume32
Issue number1
DOIs
StatePublished - Jan 13 2017

Keywords

  • electron energy loss spectroscopy (EELS)NiAl
  • electronic structure
  • optical properties

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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