%0 Journal Article
%T Geometry and electronic properties of bimetallic AunY(n=1-9) clusters<br>AunY(n＝1-9)掺杂团簇的结构和电子性质研究
%A Mao Hua-Ping
%A Wang Hong-Yan
%A Zhu Zheng-He
%A Tang Yong-Jian
%A <br>毛华平
%A 王红艳
%A 朱正和
%A 唐永建
%J 物理学报
%D 2006
%I 
%X A systematic study on the equilibrium geometries and electronic properties of Y-doped gold clusters has been studied by density functional theory calculations. The stability and electronic properties of doped gold clusters are similar to that of pure gold clusters. Their inonization potential and electron affinities alter with odd-even oscillation as a function of the number of atoms. The magic-number behaviour is observed in the Y-doped gold cluster cations, which is in good agreement with the mass spectrum experiment. Thus Au2Y+ and Au6Y+ are more stable than other clustered cations. The most stable isomers of the Y-doped gold cluster tend to have the maximized coordination number of Au atom.
%K Au-Y cluster
%K density functional theory
%K equilibrium geometries
%K electronic properties<br>Au-Y团簇
%K 密度泛函
%K 平衡几何结构
%K 电子性质
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=22A8EACCB1BE5763&yid=37904DC365DD7266&vid=E514EE58E0E50ECF&iid=9CF7A0430CBB2DFD&sid=BB5F5D0FB9EB5E5A&eid=510707B792F30317&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=18