%0 Journal Article
%T First-principles study of Li-N acceptor pair codoped p-type ZnO<br>Li, N双受主共掺杂实现p型ZnO的第一性原理研究
%A Yuan Di
%A Huang Duo-Hui
%A Luo Hua-Feng
%A Wang Fan-Hou
%A <br>袁娣
%A 黄多辉
%A 罗华峰
%A 王藩侯
%J 物理学报
%D 2010
%I 
%X Based on the density functional theory,the structure of pure ZnO and N, Li, and Li-N codoped wurtzite ZnO has been investigated by using first-principle plane wave ultrasoft pseudopotential method. The band structure, total density of states, partial density of states, and the number of charge population of pure ZnO and N, Li, Li-N codoped wurtzite ZnO were studied. The calculated results show that Li-N codoped wurtzite ZnO is more in favor of the formation of p-type ZnO.
%K ZnO
%K electronic structure
%K first-principles
%K p-type codoping<br>ZnO
%K 电子结构
%K 第一性原理
%K p型共掺杂
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=6E126FAC70C35E4E0F7E9EFC41F34C0A&yid=140ECF96957D60B2&vid=6AC2A205FBB0EF23&iid=9CF7A0430CBB2DFD&sid=DA23EF102C937E8D&eid=688C4F2E353E29F9&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=27