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The crystal structural parameters of Nd 3+-doped rare earth orthotantalate Gd x Lu 1 x TaO 4(x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction,and its emission and excitation spectra at 77 K are analysed.The relativistic model of ab initio self-consistent DV-Xα method,which is applied to the cluster NdO 8 in Gd x Lu 1 x TaO 4,and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters.The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm 1.According to the crystal-field calculations,96 levels of Nd 3+ are assigned.Finally,the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd 3+:YAlO 3.The results indicate that the free-ion parameters are similar to those of the Nd3+ in Gdx Lu1-x TaO4 and YAlO 3 hosts,and the crystal-field interaction of Nd3+ in Gdx Lu1-x TaO4 is stronger than that in YAlO 3.
The crystal structural parameters of Nd 3 + -doped rare earth orthotantalate Gd x Lu 1 x TaO 4 (x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction, and its emission and excitation spectra at 77 K are analysed The relativistic model of ab initio self-consistent DV-Xα method, which is applied to the cluster NdO 8 in Gd x Lu 1 x TaO 4, and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm 1. Accroding to the crystal-field calculations, 96 levels of Nd 3+ are assigned. Finally, the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd 3+: YAlO 3. The results indicate that the free-ion parameters are similar to those of Nd3 + in Gdx Lu1-x TaO4 and YAlO 3 hosts, and the crystal-field interaction of Nd3 + in Gdx Lu1-x TaO4 is st ronger than that in YAlO 3.