%0 Journal Article
%T Electronic structure and optical properties of ZnO doped with carbon<br>碳掺杂ZnO的电子结构和光学性质
%A Duan Man-Yi
%A Xu Ming
%A Zhou Hai-Ping
%A Chen Qing-Yun
%A Hu Zhi-Gang
%A Dong Cheng-Jun
%A <br>段满益
%A 徐明
%A 周海平
%A 陈青云
%A 胡志刚
%A 董成军
%J 物理学报
%D 2008
%I 
%X 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.
%K ZnO<br>碳掺杂
%K 电子结构
%K 光学性质
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=46659F146963EF4CC676F13C94219AA1&yid=67289AFF6305E306&vid=11B4E5CC8CDD3201&iid=F3090AE9B60B7ED1&sid=796CD38652A86AC9&eid=3633A9C071F7819D&journal_id=1000-3290&journal_name=物理学报&referenced_num=1&reference_num=0