First-principles relativistic calculation for 4f–5d transition energy of Ce3+ in various fluoride hosts

VUV–UV 5d–4f interconfigurational transitions of Nd3+ in BaMgF4 ferroelectric crystals

“…The feature is predominantly formed by a signal detected in the fast TW and is assigned to the transitions from the ground state 4 I 9/2 to the levels belonging to the 4f 2 5d 1 configuration of Nd 3 þ . On the basis of experimentally observed spectral position of the first excitation maximum for Ce 3 þ in BMF when substituting the Ba 2 þ sites ( $260 nm, 38,460 cm À 1 ) [6,22,23], which agrees with the theoretical calculation [24], and the energy difference between the first 4f-5d transition of Nd 3 þ and Ce 3 þ (22,700 cm À 1 [26]), we estimate a first 4f-5d excitation maximum to be at about 164 nm (61,160 cm À 1 ). This is in excellent agreement with our experimental data.…”

Complex study of the crystal field splitting, “ligand–impurity ion” charge transfer transitions and high lying 4f–6s intraconfigurational transitions for all trivalent lanthanides in Cs2NaYCl6 crystal

“…The fully relativistic discrete-variational Dirac-Slater (DV-DS) method [20,21] is used in all calculations. The method is based on numerical solution of the Dirac equation.…”

Chemical processing for inorganic fluoride and oxyfluoride materials having optical functions

“…We have recently found that CeF 3 and its solid solutions can be synthesized by controlling the solution composition and the heat treatment condition, which will be reported elsewhere. Because the technological importance of optically active Ce 3+ (4f 1 ) ions is rapidly increasing to facilitate design of luminescent materials in UV and VUV regions [30], it is desirable to examine new routes to prepare fluoride materials containing Ce 3+ .…”