首页 | 本学科首页   官方微博 | 高级检索  
     检索      

碳掺杂ZnO的电子结构和光学性质
引用本文:段满益,徐明,周海平,陈青云,胡志刚,董成军.碳掺杂ZnO的电子结构和光学性质[J].物理学报,2008,57(10):6520-6525.
作者姓名:段满益  徐明  周海平  陈青云  胡志刚  董成军
作者单位:四川师范大学物理与电子工程学院&固体物理研究所低维结构物理实验室,成都 610068
摘    要:采用基于密度泛函理论框架下的第一性原理计算研究碳掺杂ZnO的电子结构和光学性质.计算结果表明:C原子替代O原子和C原子替代Zn原子两种掺杂体系的电子结构存在明显差异,这主要是由于C原子的电子分布及对周围原子的影响不同;碳掺杂ZnO光学性质的变化集中在低能量区,而高能量区的光学性质没有明显变化.结合电子结构定性解释了光学性质的变化. 关键词: ZnO 碳掺杂 电子结构 光学性质

关 键 词:ZnO  碳掺杂  电子结构  光学性质
收稿时间:2008-01-26

Electronic structure and optical properties of ZnO doped with carbon
Duan Man-Yi,Xu Ming,Zhou Hai-Ping,Chen Qing-Yun,Hu Zhi-Gang,Dong Cheng-Jun.Electronic structure and optical properties of ZnO doped with carbon[J].Acta Physica Sinica,2008,57(10):6520-6525.
Authors:Duan Man-Yi  Xu Ming  Zhou Hai-Ping  Chen Qing-Yun  Hu Zhi-Gang  Dong Cheng-Jun
Abstract:Electronic structure and optical properties of ZnO doped with carbon have been investigated by using density functional theory based on first-principles ultrasoft pseudopotential method. The calculated results show that there is a significant difference in electronic structures between the cases of C substituting O and C substituting Zn in ZnO,which is caused by both the electronic structure of C atom and its interaction with the neighboring atoms. We also find that the optical properties are charged in the low-energy region after doping, while in the high-energy region the optical properties are almost not influenced by doping with C. The changes of optical properties are qualitatively explained in connection with the calculated electronic structure.
Keywords:ZnO
本文献已被 万方数据 等数据库收录!
点击此处可从《物理学报》浏览原始摘要信息
点击此处可从《物理学报》下载免费的PDF全文
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号