Eu^(2+)掺杂的Ca-α-SiAlON和Mg-α-SiAlON荧光粉的光学性质和电子结构  

Optical Properties and Electronic Structures of Eu^(2+) Doped Ca-α-SiAlON and Mg-α-SiAlON Phosphors

作　　者：宋亚珍[1] 陈俊华[1] 徐鑫[1] 

机构地区：[1]中国科学院材料与能量转换重点实验室中国科学技术大学材料科学与工程系,合肥市金寨路96号230026

出　　处：《光谱实验室》2012年第3期1293-1298,共6页Chinese Journal of Spectroscopy Laboratory

基　　金：国家自然科学基金(No.51072191)

摘　　要：α-SiAlON是一种典型的新型硅氮氧荧光体基底材料。通过高温固相反应法合成了化学式为M0.75Eu0.05Si9.6Al2.4O0.8N15.2(M=Ca,Mg)的黄色氮氧化物荧光粉Ca-α-SiAlON:Eu2+和Mg-α-SiAlON:Eu2+。通过光致发光谱图发现,Ca0.75Eu0.05Si9.6Al2.4O0.8N15.2的发光强度比Mg0.75Eu0.05Si9.6Al2.4O0.8N15.2高得多。然后使用基于密度泛函理论的CASTEP程序,计算了两种荧光粉的能带结构和态密度。通过对态密度的分析,发现Ca的分波态密度对总态密度的贡献比Mg的大,这是因为Ca的3d能级和Eu的5d能级更接近,两者充分混合,增大了Eu的5d能带的态密度,从而解释了Ca-α-SiAlON:Eu2+的光学性能好于Mg-α-SiAlON:Eu2+的本质原因。α-SiAlON is a typical oxonitridosilicate host of novel phosphors fluorescence body base material.The two yellow phosphors Ca-α-SiAlON：Eu2＋ and Mg-α-SiAlON：Eu2＋ with the same composition of M0.75Eu0.05Si9.6Al2.4O0.8N15.2（M=Ca,Mg） were prepared by high temperature solid state reaction method.It was found that the luminous intensities of the Ca0.75Eu0.05Si9.6Al2.4O0.8N15.2 phosphor were much higher than those of the Mg0.75Eu0.05Si9.6Al2.4O0.8N15.2 phosphor through photoinduced luminescence spectra.The band structure and density of states（DOS） were calculated by the CASTEP procedure based on the density functional theory（DFT）.Ca contributed more to the total density of states（TDOS） compared with Mg by analysis of density of states.This could be attributed to the energy levels of 3d orbit of Ca were closed with 5d orbit of Eu,which produced more effective mixture,then the density of states of 5d orbit of Eu were stronger,that explained the nature reason why the optical property of Ca-α-SiAlON：Eu2＋ was better than Mg-α-SiAlON：Eu2＋

关 键 词：Α-SIALON 高温固相反应法 第一性原理计算 

分 类 号：O657.61[理学—分析化学]