稀土化合物CePtAl和PrPtAl的晶场效应研究

The Investigation on Crystalline Electric Field Effect of Rare Earth Compound CePtAl and PrPtAl

通过模拟Kitazawa小组的磁化率实验结果,得到了稀土化合物CePtAl和PrPtAl的晶场分裂能和相应波函数.计算表明,Kramers离子Ce3+在晶场效应的作用下,基态简并部分消除得到了双基态,而非Kramers离子Pr3+分裂为9个单态.计算得到PrPtAl的第一激发能和第二激发能与中子散射实验结果吻合较好.

By means of simulating the temperature dependence of inverse magnetic susceptibility measured by Kitazawa group on the base of crystalline electric field （CEF） theory with a simple point-charge CEF model, we obtain CEF splitting levels and corresponding wave functions for rare earth compounds CePtAl and PrPtAl. The CEF analysis shows that Kramers ion Ce^3＋ have a doublet ground state while non Kramers ion Pr^3＋ has 9 singlet states. The first and the second excited splitting energies of PrPtAl have been proved through neutron scattering experiment.