We report first principles quantum-chemical calculations of the electronic structure of pure CaWO4 and CaWO4 containing oxygen vacancies. The calculation results are compared to values extracted from experimental thermoluminescence data. The influence of oxygen vacancies and structural disorder shows up as the presence of additional levels in the band gap of the material.
Original languageEnglish
Pages (from-to)964-969
Number of pages6
JournalInorganic Materials
Volume59
Issue number9
DOIs
Publication statusPublished - 1 Sept 2023

    ASJC Scopus subject areas

  • Metals and Alloys
  • General Chemical Engineering
  • Materials Chemistry
  • Inorganic Chemistry

    WoS ResearchAreas Categories

  • Materials Science, Multidisciplinary

ID: 53744462