离子注入Al_2O_3(001)面与色心电子结构第一原理计算  

Ion Implantation in Al_2O_3 Single Crystal(001) Surface and Color-center Computation Based on First Principle

作　　者：于杰[1] 陈敬超[2] 杜晔平[2] 冯晶[2] 

机构地区：[1]昆明理工大学材料与冶金工程学院,昆明650093 [2]云南省新材料制备与加工重点实验室,昆明650093

出　　处：《材料导报》2009年第8期68-70,80,共4页Materials Reports

基　　金：云南省自然科学基金(2006E0019Q);973计划前期研究(2008CB617609)

摘　　要：采用MEVVA源离子注入机对无色合成蓝宝石进行一定剂量的Ti离子注入,通过改变热处理条件,得到蓝色刚玉,实验发现其为色心致色。通过XPS、紫外可见分光光度计对样品的元素价态、吸收谱进行测试结果表明,表层内存在不同价态的Ti离子,在400-450nm处有强烈的蓝光反射峰。通过模拟计算进一步验证了该色心是由注入的Ti离子的3d轨道与Al的3p轨道之间的电荷转移及轨道杂化引起的,属于电子型色心。Ti ions are implanted in colorless artificial sapphire by MEVVA ion source. The blue color is aroused by the color center through different heat treatments. The value state and absorption spectrum are detected by XPS and UV spectral analysis. The experiment result shows that at the surface layer there are Ti ions of different value states, and the strong reflection peak is located in 400-450nm. The simulation computation further confirms that the color center is formed by the electron transfer between 3d of Ti ion orbit energy level and Al ion 3p orbit energy level, and the blue color is caused by F color center.

关 键 词：无机非金属材料 离子注入 价态 色心 蓝宝石 

分 类 号：O773[理学—晶体学] TM912[电气工程—电力电子与电力传动]