A comparative study of electronic structure of alkaline earth sulfides as hosts for phosphors

Abstract

Electronic structures of alkaline earth sulfides have been investigated using the augmented spherical wave band structure approach and scattered wave cluster molecular orbital method. The calculated energy eigenvalues provide a satisfactory explanation of the observed energy gap for these materials. The conduction band states have been carefully analyzed to determine the suitability of these materials for their use as lamp phosphors. The electronic structure of a divalent europium ion in sulfide environment is also discussed.