中文摘要：

YAlO3∶Pr3＋是一种受到广泛关注的发光体系,本文根据文献中给出的YAlO3∶Pr3＋晶体中Pr3＋的晶体场能级,从Nd3＋离子的晶体场参数和Pr3＋的准自由离子参数出发,采用f-shell计算软件包对Pr3＋的能级参数进行了研究,并对获得的参数进行了讨论。用拟合获得的参数计算了Pr3＋的4f 2电子构型的所有能级。

英文摘要：

YAlO3∶Pr3＋ is a good candidate for various luminescent applications.The crystal field parameters and energy levels of Pr3＋ doped YAlO3 are studied via a least-square optimization of the calculated to the measured energies of the 4fN levels using the f-shell computer program.The optimization procedure requires the initial values of all the parameters appeared in the 4f 2 effective Hamiltonian.The initial values of the free ion parameters are taken from those of Pr3＋ in LaF3,and those of the crystal field parameters are taken from those of Nd3＋ in YAlO3.All the 4f 2 energy levels of Pr3＋ are then calculated using the parameters obtained via the optimization procedure.Comparing the crystal field parameters of Pr3＋ to those of Nd3＋ and Er3＋ in YAlO3,it is found that the majority of the modules of the crystal field parameters decreases with increasing nuclear charge of the rare-earth ions.