Parametrization of 4f – 4f Transition Probabilities of Eu3+ Ions in Na5Eu(MoO4)4 and Na5Eu(WO4)4

Abstract

AbstractThe simulation of the 4f—4f electric and magnetic dipole transition probabilities of Eu3+ ions in Na5Eu(MO4)4 (M = Mo and W) was carried out according to the Judd‐Ofelt theory. The experimental data consist of 29 5D0,1 → 7FJM transitions between crystal field sublevels. — The optimization of the six non‐zero Bλkg parameters allowed for the D2d symmetry yielded the following sets for Na5Eu(MoO4)4 and Na5Eu(WO4)4 (in 10−10 cm units). B232 = ‐2.01 (‐1.94), B432 = 0.66 (0.57), B452 = 3.31 (3.07), B652 = 8.47 (6.72), B672 = 2.27 (2.63) and B676 = 31.11 (30.93), respectively. These sets give reasonable simulation to the experimental transition probabilities. The conventional Judd‐Ofelt theory was, however, unable to simulate the intensity of the “hypersensitive” 5D0 → 7F2 transition. Most of the discrepancies are due to the uncertainty in experimental data although the influence of basis set truncation (only 671 |LJM> levels out of the total of 3003 were included in the basis set of wave functions) and the approximate symmetry (D2d symmetry was used instead of the real S4 one) cannot be neglected, either.