Energy levels, density of states (DOS), and electronic densities for ZnS: Tm3+ were calculated self-consistently, using both nonrelativistic Hartree-Fock-Slater (HFS) and relativistic Dirac-Slater (DS) one-electron local- density spin restricted or polarized cluster models. The L-S coupling parameter ζ(4f) and electrostatic integrals F(k) were calculated. Luminescence transitions obtained using the intermediate coupling method are compared with experiment.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics