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中国物理学会期刊

纳米X1-Y2SiO5: Eu3+发光光谱的理论研究

CSTR: 32037.14.aps.46.1427

THEORETICAL STUDY ON LUMINESCENCE-SPECTROSCOPY OF NANO CRYSTAL X1-Y2SiO5: Eu3+

CSTR: 32037.14.aps.46.1427
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  • 从晶体结构参数和Eu3+离子等的物性参数出发,用Faucher的静电模型,计及远程环境影响,且用自洽求解方法确定配位离子的诱导电偶极矩,系统地计算了纳米晶X1-Y2SiO5: Eu3+的晶场参数,并延伸此模型用于跃迁强度计算.给出了在C1对称下与实验相当一致的光谱,且得到可用于其他性质的计算的各态波函数

     

    Based on the electrostatic crystal field model of Faucher et al., in which the induced electric dipoles of ligands are obtained from a set of self consistent combined equations and the contributions from farther ligands are considered,the crystal field energy parameters of nano crystal X1-Y2SiO5: Eu3+ are calculated by using related data of its crystal structure and physical properties.Moreover,we successfully extend the above model to calculate the transition intensities,thus giving a theoretical luminescence spectroscopy,which approximately agree with the experimental one.Additionally,the useful wavefunctions of crystal field states are obtained in this calculation process thereby.

     

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