稀土掺杂无机化合物的电子结构及应用

Electronic Structure of Rare-Earth-Doped Inorganic Compounds and Its Applications

稀土掺杂无机化合物具有重要的应用,其电子结构决定了该类材料的光学性能。目前电子结构图(HRBE和VRBE图)提供了二价、三价稀土离子的4f, 5d各能级的相对位置和相对于基质化合物导带底和价带顶的能量位置,以及它们相对于真空的能量位置。研究人员可以根据一种稀土离子(例如Eu^2+和Eu^3+)的光谱数据预测和给出14种稀土离子的4f和5d能级的HRBE和VRBE电子结构图;进一步可以预测稀土离子在化合物中的稳定价态。另外,电子结构图为理解、预测、设计和调控无机发光材料的激发/发射光谱位置、热猝灭特性、余辉性能以及闪烁性能提供重要科学依据。本文综述了电子结构图的构筑方法,并总结了其在设计和调控发光材料性能等方面的应用。

Rare-earth-doped inorganic compounds are indispensable in human life. Their optical properties are determined by the electronic structure, which can be clearly demonstrated by the host referred binding energy(HRBE) and vacuum referred binding energy(VRBE) schemes with all the informationregarding lanthanide energy levels and host bands. On the basis of electronic structure schemes, 4 f and 5 d energy level electronic structures of 14 lanthanide ions can be predicted according to the spectral data of one lanthanide ion(e.g. Eu^2+ and Eu^3+). Furthermore, the stable valence state of lanthanide ions in compounds can be predicted. In addition, it is of vital importance to illustrate, predict, and tune phosphor properties, such as excitation/emission wavelength, luminescence thermal stability, persistent luminescence properties, and scintillation performance. This article reviewed the construction methods of electronic structure schemes, and summaries their applications in designing and tuning the properties of optical materials.