摘要
通过Li离子和发光离子共掺杂制备的稀土发光材料可以较大的提高样品的发光强度，本文通过密度泛函计算讨论这种材料中的电荷补偿形式，认为在较大浓度的情况下，对Li离子的电荷补偿主要以单独的间隙氧缺陷为主，间隙氧离子的引入，将会导致材料中出现掺杂能级。此外，基于试验结果，还对发光增强的机理进一步进行了讨论。
Rare earth oxide luminescent materials co doped with Li^＋ ions always yield higher light output. In this paper,density functional method is adopted to simulate the charge compensation form in the co-doped material. The result shows that the induced defects are mainly in the form of interstitial oxygen ions, which results in the acceptor energy level in the energy gap. Based on the simulation and experimental results the mechanism of emission enhancement by Li^＋ ion co-doping is investi-gated further.
出处
《中国材料科技与设备》
2008年第4期43-45,共3页
Chinese Materials Science Technology & Equipment
基金
基金项目：上海市科委基础研究重点项目（05JC14062）
上海市科委自然科学基金资助项目（05ZR14123）
关键词
共掺杂离子
稀土氧化物
密度泛函
电荷补偿
Co-doping
Rare earth oxide
Density functional
Charge compensation
