%0 Journal Article
%T A THEORETICAL STUDY ON THE SURFACE ELECTRONIC STRUCTURES OF Si NANO-CLUSTERS<br>纳米硅集团表面电子态的理论研究
%A YE LING
%A <br>叶令
%J 物理学报
%D 1996
%I 
%X The electronic structures of H,O and OH chemisorbed on Si nano-clusters were calculated with local density functional formalism. Atomic force calculations were used to reach at an optimized chemisorption site for the adsorbates. Different models were used. For all H adsorbed clusters, wider energy gaps are opened up compared with that of bulk Si, and quantum size effect is obviously shown. When a shell of the adsorbed H atoms is replaced by oxygen atoms, oxygen induced tail states appear in the gap. Both occupied and unoccupied states exist, and the gap is reduced from that in all H-terminated cases. For O atoms replaced by OH, the tail states become all occupied, but the gap widths do not differ much. No quantum size effects are observable for both O and OH adsorption.
%K 纳米硅集团
%K 表面电子态
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=F740DFC25C24E4A0F2D7F93B5A30A547&yid=8A15F8B0AA0E5323&vid=94E7F66E6C42FA23&iid=708DD6B15D2464E8&sid=58826BCD25BE3ED6&eid=BCA72E9D2CFA70A9&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=3