%0 Journal Article
%T FIRST PRINCIPLES CALCULATION OF THE BAND STRUCTURE OF CdTe AND HgTe<br>CdTe和HgTe能带结构的第一性原理计算
%A SUN Li-Zhong
%A CHEN Xiao-Shuang
%A GUO Xu-Guang
%A SUN Yan-Lin ZHOU Xiao-Hao
%A LU Wei
%A <br>孙立忠
%A 陈效双
%A 郭旭光
%A 孙沿林
%A 周孝好
%A 陆卫
%J 红外与毫米波学报
%D 2004
%I Science Press
%X The electronic band structures of CdTe and HgTe were calculated with FLAPW method based on first Principles density functional theory. The Brent method was introduced to optimize the lattice constant. In comparison with conventional methods the Brent method can give more accurate and faster result. The result of band structure and density of state presented here well agree with experiment, moreover the results based on LSDA and GGA are compared and discussed.
%K FLAPW
%K band structure
%K DOS
%K brent method<br>密度泛函理论
%K 快速搜索法
%K FLAPW
%K 能带结构
%K 碲化镉
%K 碲化汞
%K 半导体材料
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=1319827C0C74AAE8D654BEA21B7F54D3&jid=D3B4F771D1A06062008B4D0A2EF05996&aid=9A2F06ABE0F8C40C&yid=D0E58B75BFD8E51C&vid=EA389574707BDED3&iid=E158A972A605785F&sid=273ADA1BCEFE8C00&eid=7979125BBE749348&journal_id=1001-9014&journal_name=红外与毫米波学报&referenced_num=5&reference_num=20