%0 Journal Article
%T Impact of Lattice Volume on the Band Gap Broadening of Isovalent S-Doped CuInSe2<br>S掺杂CuInSe2导致的体积变化对其禁带宽度的影响
%A Chen Xiang
%A Zhao Yujun
%A Yao Ruohe
%A He Julong
%A <br>陈翔
%A 赵宇军
%A 姚若河
%A 何巨龙
%J 半导体学报
%D 2008
%I 
%X The electronic structure of pure and S-doped chalcopyrite CuInSe2 is investigated using a first-principles pseudopotential method in the generalized gradient approximation.The calculation indicates that the band gap of CuInSe2 broadens as S-doping concentration increases.We find that the decreased lattice volume due to isovalent S-doping in CuInSe2 has a significant impact on the band gap broadening phenomena.This physical insight is further discussed with the study of the electronic structure and bond length changes.
%K first-principles calculation
%K CuInSe2
%K band gap broadening<br>第一性原理
%K CuInSe2
%K 禁带宽度
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=1319827C0C74AAE8D654BEA21B7F54D3&jid=025C8057C4D37C4BA0041DC7DE7C758F&aid=226901B5228D7915DD640EA3EC52FDF0&yid=67289AFF6305E306&vid=771469D9D58C34FF&iid=F3090AE9B60B7ED1&sid=C67DF474DF6F21E1&eid=3A61856D91CF5877&journal_id=1674-4926&journal_name=半导体学报&referenced_num=0&reference_num=27