%0 Journal Article
%T GEOMETRICAL AND ELECTRONIC STRUCTURES OF VANADIUM CLUSTERS, AND THEIR EVOLUTION FROM MOLECULAR TO BULK PHASE<br>钒团簇的几何和电子结构——从分子到体相性质的演化
%A DING CHANG-GENG
%A YANG JIN-LONG
%A LI QUN-XIANG
%A <br>丁长庚
%A 杨金龙
%A 李群祥
%J 物理学报
%D 2001
%I 
%X We have optimized the geometrical structures of the vanadium clusters Vn and discussed their evolution with cluster sizes in the average nearest-neighbor distances, coordination numbers, binding energies, ionization potential, electron affinities, density of states, valence band width, and magnetic moments using the density functional theory.We found that the clusters from V2 to V9 have distinctly molecular behaviour with dramatic size variations; V13, V15, and V19 are the transition regions from the molecular features to the bulk structures, and V27 and V51 possess almost the bulk properties.
%K Vanadium cluster
%K density functional theory
%K electronic structure<br>钒团簇
%K 密度泛涵理论
%K 电子结构
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=EA679B3A73D1F8FF&yid=14E7EF987E4155E6&vid=771152D1ADC1C0EB&iid=F3090AE9B60B7ED1&sid=DA7B73AC3A57CF54&eid=B7C453D138C8DFC1&journal_id=1000-3290&journal_name=物理学报&referenced_num=2&reference_num=20