The 4f-5d transitions of Er3+ ions doped in crystals were widely studi ed due to their potential applications in quantum cutting phosphors and VUV lase rs,etc.The theory to do the calculations of 4f-5d transitions and various rela ted aspects,such as the ways to determining various parameters,were summarized .The impacts of various interactions on the spectra were also demonstrated clea rly with Er3+ ions in crystals CaF2 and LiYF4.Predicted results were compared w ith measured spectra.
Lead borate glasses xB2O3+(99–x)PbO+0.5Eu2O3(x=70,60,...,10) were prepared by melt-quenching method.The luminescent properties were characterized with excitation and emission spectra.The emission intensities for 5D0-7FJ(J=0–4) were analyzed to give variation of the relative electric dipole line strengths with the composition of glasses so as to examine the crucial implicit assumption of independent electric dipole line strength on the composition of glass in the Phys.Rev.Lett.2003,91,203903 paper studying l...
The f-d transition of Ce3+ and Tb3+ in BaBPO5 was studied theoretically using the parametric Hamiltonian model. In order to overcome the difficulty in determining many of the parameter values, we adopted the model-space effective Hamiltonian method to determine the crystal-field parameters and spin-orbit parameters values. The method made use of the energies and eigenvectors, which were obtained from an ab initio calculation using the relativistic self-consistent discrete variational Slater software package (DV-Xα). Other parameters, which were less dependent on host crystals, were taken from published data. The calculated values of parameters were reasonable, and the energy-levels and f-d transition spectra agreed reasonably well with the measured excitation spectra of 5d-4f emission.
We constructed an effective one-electron Hamiltonian by using the 4f/5d energies and eigenvectors obtained from the first-principles calculation with the relativistic self-consistent discrete variational Slater software package （DV-Xα）. From the effective Hamiltonian, we obtained the crystal-field and spin-orbit interaction parameters for the 4f and 5d electrons of lanthanide ions （Ce^3＋, Pr^3＋, Nd^3＋ and Eu^3＋） doped in YPO4, and these parameters were used to calculate the 4fN-4fN- 15d transition. Comparison with experiments shows that the obtained parameters are reasonable and the excitation spectra can be well predicted.
