Theoretical simulation and synchrotron excitation spectra of lanthanide ions in hexafluoroelpasolite lattices
Theoretical simulation and synchrotron excitation spectra of lanthanide ions in hexafluoroelpasolite lattices
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DOI：
10.1021/jp901332j
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发表时间：
2009-06
影响因子：
3.7
通讯作者：
C. Duan;P. Tanner;V. Babin;A. Meijerink
中科院分区：
文献类型：
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作者：
C. Duan;P. Tanner;V. Babin;A. Meijerink
本文报道了六氟钾长石Cs_2NaLnF_6晶格中处于八面体位置对称的镧系离子Ln ~（3+）、Nd ~（3+）、Ho ~（3+）、Tm ~（3+）和Yb ~（3+）在10 K下的真空紫外激发光谱。相应的真空紫外/紫外/可见/近红外发射光谱也已记录。采用M. F.里德程序套件。模拟结果与实验数据吻合较好。这些系统的一些额外的光谱特征已被分配到电荷转移（CT）跃迁，和CT发射的情况下，Tm 3+的报告。结果与LiYF_4：Ln ~（3+）的光谱进行了比较，主要区别在于Ln ~（3+）在六氟钾长石晶格中具有更强的晶场强度。
Vacuum ultraviolet (VUV) excitation spectra at 10 K have been recorded for the lanthanide ions, Ln3+ ) Nd3+, Ho3+, Tm3+, and Yb3+, situated at octahedral site symmetry in hexafluoroelpasolite Cs2NaLnF6 lattices. The corresponding VUV/UV/visible/near-infrared emission spectra have also been recorded. The 4fN-15d energy levels and 4fN-4fN-15d spectral intensities have been calculated by judicious selection of parameters, without detailed fittings, when employing the M. F. Reid suite of programs. The simulations are in reasonable agreement with experimental data. Some additional spectral features for these systems have been assigned to charge transfer (CT) transitions, and CT emission is reported for the case of Tm3+. A comparison of the results with the spectra of LiYF4:Ln3+ has been included and the major difference lies in the greater crystalfield strengths for Ln3+ in the hexafluoroelpasolite lattices.