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    題名: Si adsorption on Cu(1 1 0) surface from ab initio calculation
    作者: He, Guo-min;Li, Shu-ping;周子聰;Zhou, Zi-cong
    貢獻者: 淡江大學物理學系
    關鍵詞: Ab initio quantum chemical methods and calculations;Chemisorption;Copper;Silicon;Silicides
    日期: 2004-03-20
    上傳時間: 2009-12-31 10:52:32 (UTC+8)
    出版者: Elsevier
    摘要: Using density-functional theory within the generalized gradient approximation the interaction between atomic Si and the Cu(1 1 0) surface is investigated. Various structures of on-surface adsorption as well as surface-substitutional adsorption for a wide range of Si coverage are considered. Our results shows that the Cu(1 1 0) surface is active towards adsorption of Si. The energetically most preferred structure is the c(2 × 2)-Si/Cu(1 1 0) surface alloy. The reason that (2 × 2) Si chain can form on c(2 × 2)-Si/Cu(1 1 0) surface is due to the particular stability of c(2 × 2)-Si/Cu(1 1 0) surface.
    關聯: Surface Science 553(1-3), pp.126-132
    DOI: 10.1016/j.susc.2004.01.053
    顯示於類別:[物理學系暨研究所] 期刊論文

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