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。
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.
出处
《发光学报》
EI
CAS
CSCD
北大核心
2011年第9期885-889,共5页
Chinese Journal of Luminescence
基金
国家自然科学基金(11111120060)
重庆市教委科研项目(KJ090520)
重庆邮电大学博士启动项目(A2008-62)资助项目
关键词
Pr3+
YAlO3晶体
晶体场参数
稀土发光
Pr3＋
YAlO3 crystal
crystal-field parameters
luminescence of rare-earth ions
