Si adsorption on Cu(1 1 0) surface from ab initio calculation

機構典藏 > College of Sciences > Graduate Institute & Department of Physics > Journal Article > Item 987654321/27920

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Title:	Si adsorption on Cu(1 1 0) surface from ab initio calculation
Authors:	He, Guo-min;Li, Shu-ping;周子聰;Zhou, Zi-cong
Contributors:	淡江大學物理學系
Keywords:	Ab initio quantum chemical methods and calculations;Chemisorption;Copper;Silicon;Silicides
Date:	2004-03-20
Issue Date:	2009-12-31 10:52:32 (UTC+8)
Publisher:	Elsevier
Abstract:	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.
Relation:	Surface Science 553(1-3), pp.126-132
DOI:	10.1016/j.susc.2004.01.053
Appears in Collections:	[Graduate Institute & Department of Physics] Journal Article

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