A study of the electronic structure of the Ce3+ impurity in the SrF2 crystal taking into account lattice polarization and relaxation is reported. The calculations were made by the embedded-cluster approach representing a combination of the scattered-wave and molecular-statics methods. The effects on calculations due to cluster size and the lattice deformation produced by a charged defect are discussed. The spatial structure of the cerium centers in strontium fluorite has been studied, and cerium center compensation by a nearest-neighbor interstitial halogen ion is shown to be energetically preferable. © 1996 American Institute of Physics.
Original languageEnglish
Pages (from-to)1497-1501
Number of pages5
JournalPhysics of the Solid State
Volume38
Issue number9
Publication statusPublished - 1996

    ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

ID: 54154013