YAlO3晶体中pr3+的4f2能级

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4f2电子构型的所有能级.

The 4f2 Energy Levels of Pr3+ Doped YAlO3 Crystal

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 4f^N 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.