POSITIONS OF 4F AND 5D ENERGY-LEVELS OF CE3+ IN THE BAND-GAP OF CEF3, YAG AND LSO

In this paper we show an efficient algorithm to compute, in an ab initio way, the absorption bands of Ce 4f-5d transitions and the position of the Ce 4f and 5d levels in the gap for Ce-doped inorganic crystals. Calculations have been performed on CeF3 and Ce-doped LaF3, YAG and LSO. The calculated absorption bands are in good agreement with experimental data. The calculated position of the Ce levels in the gap is not good enough, but useful and in agreement with experimental data within a certain error.