%0 Journal Article
%T The ab-initio study of diamond growth on its (111) surface<br>金刚石延(111)面生长的第一性原理研究
%A Liu Yi-Liang
%A Kong Fan-Jie
%A Yang Bin-Wei
%A Jiang Gang
%A <br>刘以良
%A 孔凡杰
%A 杨缤维
%A 蒋刚
%J 物理学报
%D 2007
%I 
%X The adsorption of carbon on Ni (111) surface is studied with density functional theory in this paper. The adsorption energy and density of states is calculated. We analyzed the density of states of carbon on diamond (111) surface and carbon adsorbed on Ni(111) surface, the result shows that they have similar electronic structure, namely, they both have nonbonding and bonding sp3 hybridized electrons. Furthermore, it is found that the carbon atoms on diamond (111) surface and those adsorbed on Ni(111) surface are prone to bonding and form a diamond-like structure.
%K density functional theory
%K chemisorption
%K electron structure
%K diamond growth<br>密度泛函理论
%K 化学吸附
%K 电子结构
%K 金刚石生长
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=A0AB326E3491F7CE&yid=A732AF04DDA03BB3&vid=014B591DF029732F&iid=9CF7A0430CBB2DFD&sid=20CF9B04DCFE66D4&eid=C03B045EE279D1E8&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=18