Electronic structure of the F center in SrO

Journal Article · Tue Nov 15 04:00:00 EST 1977 · Phys. Rev., B; (United States)

DOI:https://doi.org/10.1103/PhysRevB.16.4594· OSTI ID:5348167

Wilson, T M; Wood, R F

Absorption and emission states of th F center in SrO have been calculated using a theoretical model which emphasizes the importance of (i) electronic structure on the ions neighboring the defect, (ii) electronic and ionic polarization of the lattice, and (iii) lattice distortion and its effects on the energy levels and wave functions of the defect . The electron-lattice interaction for A/sub 1g/, E/sub g/, and T/sub 2g/ displacements of the nearest-neighbor ions has been calculated and used to interpret the absorption and luminescence bands of the F center. The calculated energy-level scheme as a function of lattice relaxation predicts luminescence bands corresponding to the /sup 1/T/sub 1u/ ..-->.. /sup 1/A/sub 1g/ transition at 1.5 eV and to the /sup 3/T/sub 1u/ ..-->.. /sup 1/A/sub 1g/ transition at 0.56 eV. It also suggests the possibility of observing the excited-state absorption for the /sup 3/T/sub 1u/ ..-->.. /sup 3/A/sub 1g/ transition at about 1.9 eV. Calculations of the Jahn-Teller coupling constants indicate that both the /sup 1/T/sub 1u/ unrelaxed excited absorption and the /sup 3/T/sub 1u/ relaxed emission states are strongly coupled to the T/sub 2g/ vibrational modes.

• Research Organization: Department of Physics, Oklahoma State University, Stillwater, Oklahoma 74074
• OSTI ID: 5348167
• Journal Information: Phys. Rev., B; (United States), Journal Name: Phys. Rev., B; (United States) Vol. 16:10; ISSN PLRBA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ABSORPTION SPECTRA
ALKALINE EARTH METAL COMPOUNDS
CHALCOGENIDES
COLOR CENTERS
CRYSTAL DEFECTS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
EMISSION SPECTRA
F CENTERS
FUNCTIONS
LUMINESCENCE
OXIDES
OXYGEN COMPOUNDS
POINT DEFECTS
SPECTRA
STRONTIUM COMPOUNDS
STRONTIUM OXIDES
VACANCIES
WAVE FUNCTIONS