%0 Journal Article
%T Ab Initio Calculations of the Electronic Structures of Copper Pyrites CuS2, CuSe2 and CuTe2<br>Ab Initio Calculations of the Electronic Structures of Copper Pyrites CuS_2, CuSe_2 and CuTe_2
%A Zhufeng HOU
%A Aiyu LI
%A Zizhong ZHU
%A Meichun HUANG
%A <br>Zhufeng HOU
%A Aiyu LI
%A Zizhong ZHU and Meichun HUANG
%J 材料科学技术学报
%D 2004
%I 
%X The electronic structures of CuS2, CuSe2 and CuTe2 with pyrite structures, within the framework the density-functional theory have been investigated. The calculated results explained the recent experimental results which show that there is no clear indication of strong electron correlations in the electronic properties of Cu pyrites, due to the dominant chalcogen p character rather than d characteristic of Cu at the Fermi level.
%K Ab initio calculations
%K Copper pyrites
%K Electronic structures<br>
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=84529CA2B2E519AC&jid=324DC3CAB22330DB19158AE0A9B7BFA5&aid=7B5525B2349D5ED2&yid=D0E58B75BFD8E51C&vid=A04140E723CB732E&iid=E158A972A605785F&sid=9BA67A0B76A3DBA8&eid=6D6BFCF0101BC091&journal_id=1005-0302&journal_name=材料科学技术学报&referenced_num=0&reference_num=16