根据晶场理论,通过对D.Kaczorowski等人测量的磁化率倒数与温度关系曲线的模拟,得到了稀土化合物CeRh3Si2和Ce3Rh3Si2的晶场分裂能和相应波函数,对于CeRh3Si2和Ce3Rh3Si2,它们的第一激发能和总的激发能分别为176K,855K和77.5K,428K.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三个双重态,模拟得到的化合物的磁化率倒数与温度关系曲线与实验曲线吻合较好.
On the base of crystalline electric field (CEF) theory with a simple point-charge CEF model by means of sim-ulating the temperature dependence of inverse magnetic susceptibility measured by D. Kaczorowski group, we obtained CEF splitting levels and corresponding wave functions for rare earth compounds CeRh3Si2 and Ce3Rh3Si2, The first excited and the total excited energies are estimated to be about 176K, 855K ,for CeRh3Si2 and 26K, 1430K for Ce3Rh3Si2, respectively. The calculation indicated the CEF analysis shows that Kramers ion Ce3+ have three doublet ground state. The result of simulating are in good agreement with the experimental date.
参考文献
| [1] | D. Kaczorowski;Yu. Prots;U. Burkhardt .Electronic properties and crystal structures of RE_3Rh_2Ga_2 and RE_3Rh_3Si_2 (RE = La, Ce)[J].Intermetallics,2007(3):225-232. |
| [2] | 邓德力,李玉山.Ce3+基态在正交晶场影响下分裂的理论计算[J].低温物理学报,2007(03):237-240. |
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