%0 Journal Article
%T Electronic structure and optical properties of ZnO doped with transition metals<br>过渡金属掺杂ZnO的电子结构和光学性质
%A Shen Yi-Bin
%A Zhou Xun
%A Xu Ming
%A Ding Ying-Chun
%A Duan Man-Yi
%A Linghu Rong-Feng
%A Zhu Wen-Jun
%A <br>沈益斌
%A 周 勋
%A 徐 明
%A 丁迎春
%A 段满益
%A 令狐荣锋
%A 祝文军
%J 物理学报
%D 2007
%I 
%X The electronic and optical properties of ZnO doped with 3d transition metals with wurtzite structure are studied with density functional theory based on ultra-soft psuedopotential. The cohesive energy, density of state, band structure, and optical absorption properties are calculated. Furthermore, we analyzed the change of electron structure, bonding and optical properties after doping in comparison with the experimental results.
%K ZnO
%K doping
%K first principles
%K optical properties<br>氧化锌
%K 掺杂
%K 第一性原理
%K 光学性质
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=E6A7E765502BBA72&yid=A732AF04DDA03BB3&vid=014B591DF029732F&iid=B31275AF3241DB2D&sid=F1CF031D409F3CB2&eid=62B6C91ACF8FD3B1&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=22