Results of electronic structure studies of the Ce3+ impurity in Lu2SiO5 crystals allowing for lattice polarization and relaxation are given. The calculations were performed by the embedded cluster method combining the scattered wave and molecular static methods. The effect of lattice deformation induced by the defect on the results of calculations is discussed.
Original languageEnglish
Pages (from-to)878-883
Number of pages6
JournalJournal of Structural Chemistry
Volume38
Issue number6
DOIs
Publication statusPublished - 1 Nov 1997

    ASJC Scopus subject areas

  • Materials Chemistry
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

ID: 54797293