4f n →4f n-1 5d d transitions of the light lanthanides: experiment and theory
4f n →4f n-1 5d d transitions of the light lanthanides: experiment and theory
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DOI：
10.1103/physrevb.65.045113
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发表时间：
2002-01
影响因子：
3.7
通讯作者：
L. V. Pieterson;M. F. Reid;R. Wegh;S. Soverna;A. Meijerink
中科院分区：
文献类型：
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作者：
L. V. Pieterson;M. F. Reid;R. Wegh;S. Soverna;A. Meijerink
在紫外和真空紫外光谱区（100-250 nm）研究了轻稀土（Ce 3 Pr 3 +，Nd 3 +，Sm 3 +，Eu 3 +）在LiYF 4，CaF 2和YPO 4中的4fn → 4fn-15 d（fd）激发光谱.在这些主机晶格精细结构（零声子线和电子振动线）的FD过渡涉及最低的5D晶体场状态观察。零声子线的观测使我们有可能分析fd谱中的复杂结构，并将实验观测到的谱与4f n - 1 5d态的能级计算进行比较。能级和强度的计算进行了扩展的常用理论的能级计算的4f n状态。采用晶场分裂法得到了实验与理论的较好一致性（来自Ce 3 +的光谱），4Fn- 1堆芯分裂参数（来自4f n态能级计算的文献）和5d电子的自旋轨道耦合以及4f和5d电子之间的库仑相互作用（使用科万的计算机代码从原子参数）。
The 4f n →4f n - 1 5d(fd) excitation spectra of the light lanthanides (Ce 3 Pr 3 + , Nd 3 + , Sm 3 + , and Eu 3 + ) incorporated in LiYF 4 , CaF 2 , and YPO 4 are investigated in the ultraviolet and vacuum-ultraviolet spectral region (100-250 nm). In these host lattices fine structure (zero-phonon lines and vibronic lines) is observed for fd transitions involving the lowest 5d crystal-field state. The observation of zero-phonon lines makes it possible to analyze the complicated structure in the fd spectra and to compare the experimentally observed spectra with energy-level calculations for the 4f n - 1 5d states. Energy-level and intensity calculations were performed by an extension of the commonly used theory for energy-level calculations of 4f n states. A good agreement between experiment and theory is obtained for the overall structure using the crystal-field splitting (from the spectra of Ce 3 + ), the parameters for the splitting of the 4f n - 1 core (from the literature on energy level calculations for 4f n states) and the spin-orbit coupling of the 5d electron and Coulomb interaction between 4f and 5d electrons (from atomic parameters using the computer code of Cowan).