Abstract
Lu2SiO5:Ce (LSO:Ce) is a well-known scintillator with high light yield, fast decay time and high density. In experiments, Li, Na and Ca are reported to influence its light yield and thermoluminescence intensity related to the oxygen vacancies in the host. The stability of Li, Na and Ca ions in LSO has been investigated using the density functional theory. Li and Na ions have lower formation energies at substitutional sites than interstitial sites. The formation energy of the defect complex of Na and the oxygen vacancy is lower than the isolated oxygen vacancy. Ca ions are found to be stable at interstitial sites and the complex of Ca and the oxygen vacancy is not as stable as the isolated oxygen vacancy. Some shallow thermodynamic transition levels are introduced by substituents. The dopants are responsible for some unoccupied states above the top of the valence band and occupied states below the bottom of the conduction band.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
