%0 Journal Article
%T First-principles calculation of p-Zn1-xMgxO electronic structure by doping with Al and N<br>Al和N共掺p型Zn1-xMgxO电子结构的第一性原理计算
%A Liu Qiang
%A Cheng Xin-Lu
%A Yang Xiang-Dong
%A Fan Yong-Heng
%A <br>刘强
%A 程新路
%A 杨向东
%A 范勇恒
%J 物理学报
%D 2009
%I 
%X The first principles calculation of plane wave ultra-soft pseu-dopotential method based upon the denstiy functional theory and generalized gradient approximation have been adopted to investigate the energy band structure and electronic density of states and Mulilken charge population of Al and N codoped Zn1-xMgxO. The calculation indicates that the Al and N codoped Zn1-xMgxO has the trend of forming p-type Zn1-xMgxO.
%K 密度泛函理论，
%K Zn1-xMgxO，
%K 电子结构，
%K 共掺杂
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=870546043E4E6F050823238F4A443AFA&yid=DE12191FBD62783C&vid=9FFCC7AF50CAEBF7&iid=E158A972A605785F&sid=99FACC118BD43F3F&eid=EEE0474A7F1C1F27&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=0