%0 Journal Article
%T Electrical Structures of Nitrogen-Doped Zigzag Single-Wall Carbon Nanotubes<br>掺氮锯齿型单壁碳纳米管的电子结构
%A Song Jiuxu
%A Yang Yintang
%A Chai Changchun
%A Li Yuejin
%A <br>宋久旭
%A 杨银堂
%A 柴常春
%A 李跃进
%J 半导体学报
%D 2007
%I 
%X Based on the study of the existing form of doped single-walled carbon nanotubes (SWCNT) and the optimization of SWCNT crystal lattice,the band structure and density of states of nitrogen-doped SWCNTs are studied.We take a first-principle ultra-soft pseudopotential approach using plane waves that is based upon density functional theory,and use the CASTEP program package.The results show that the band gap narrows with the increase of nitrogen doping concentration
%K nitrogen doping
%K electrical structures
%K SWCNT
%K first-principles<br>掺氮
%K 电子结构
%K 锯齿型单壁碳纳米管
%K 第一性原理
%K 掺氮
%K 锯齿型
%K 单壁碳纳米管
%K 电子结构
%K Carbon
%K Nanotubes
%K Zigzag
%K Structures
%K 趋势
%K 间隙
%K 掺杂浓度
%K 结果
%K 态密度
%K 能带结构
%K 计算
%K 氮浓度
%K 结构优化
%K 存在方式
%K 分析
%K 软件包
%K CASTEP
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=1319827C0C74AAE8D654BEA21B7F54D3&jid=025C8057C4D37C4BA0041DC7DE7C758F&aid=5646F94D35B54F6FCC3AA47AF1C5769F&yid=A732AF04DDA03BB3&vid=D3E34374A0D77D7F&iid=F3090AE9B60B7ED1&sid=5A9F02B7D2F9BAD8&eid=7999B0CFB1D30C72&journal_id=1674-4926&journal_name=半导体学报&referenced_num=0&reference_num=22