4fN-^1 5d energy levels of lanthanides： a quasi-angular-momentum approach and its application to Cs2NaYF6：Er3＋
4fN-^1 5d energy levels of lanthanides： a quasi-angular-momentum approach and its application to Cs2NaYF6：Er3＋
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DOI：
10.1088/1674-1056/18/5/039
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发表时间：
2009-05
影响因子：
1.7
通讯作者：
马崇庚;江莎;段昌奎;尹民;夏上达
中科院分区：
文献类型：
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作者：
马崇庚;江莎;段昌奎;尹民;夏上达
需要考虑5d电子的自旋-轨道相互作用，以给出重镧系元素离子的4fN − 15 d构型的适当能量结构，该构型占据与配体形成八面体的位置。本文通过将t2轨道视为准p轨道，然后使用角动量耦合技术推导出能量结构的理论结果。给出了4fN多重态和4fN − 15 d态之间的电偶极吸收线强度随角动量量子数和再耦合系数变化的解析表达式。最后将所得结果用于解释Cs_2NaYF_6：Er ~（3+）的激发光谱。利用所建立的理论模型，讨论了Cs_2NaYF_6：Er ~（3+）的高自旋态和低自旋态.
The spin–orbit interaction of the 5d electron needs to be taken into account to give the proper energy structure for the 4fN − 15d configuration of heavy lanthanide ions occupying a site with ligands forming an octahedron. This paper derives theoretical results for the energy structure by treating the t2 orbitals as quasi p orbitals and then using angular-momentum coupling techniques. An analytic expression for the electric dipole absorption line strengths between 4fN multiplets and 4fN − 15d states is given in terms of various angular-momentum quantum numbers and re-coupling coefficients. The result is then applied to interpret the excitation spectrum of Cs2NaYF6:Er3+. The high-spin and low-spin states of Cs2NaYF6:Er3+ are discussed in terms of the wavefunctions obtained by using the developed theoretical model.