%0 Journal Article
%T Ab Initio Study of Structural and Electronic Properties of Hexagonal BC2N
%A LUO Xiao-Guang
%A LIU Zhong-Yuan
%A GUO Xiao-Ju
%A HE Ju-Long
%A YU Dong-Li
%A TIAN Yong-Jun
%A SUN Jian
%A WANG Hui-Tian
%A <br>罗晓光
%A 柳忠元
%A 郭晓菊
%A 何巨龙
%A 于栋利
%A 田永君
%A 孙建
%A 王慧田
%J 中国物理快报
%D 2006
%I 
%X We investigate hexagonal BC2N in graphite unit cells using the first-principles method and calculate the total energies, lattice parameters, and electronic band structures after full relaxation. It is shown that stable hexagonal BC2N should be stacked sequentially with one graphite layer and one h-BN layer. The density of states indicates that this structure should have metallicity.
%K 61
%K 50
%K Ah
%K 71
%K 20
%K -b
%K 71
%K 15
%K Mb
%K 81
%K 05
%K Zx<br>六角形BC2N
%K 晶格参数
%K 电子带结构
%K 态密度
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=87EC51A96E8FE1E263CCF67DFF1C0E59&yid=37904DC365DD7266&vid=EA389574707BDED3&iid=5D311CA918CA9A03&sid=FBEA8C467B1EDA46&eid=5B7B2E4D347A9CC5&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=26