Tuning of the periodicity of stable self-organized metallic templates  

作　　者：王晓春 赵寒月 陈难先 张勇 

机构地区：[1]Department of Physics,Tsinghua University [2]Department of Electrical and Computer Engineering,The University of North Carolina at Charlotte

出　　处：《Chinese Physics B》2011年第2期177-184,共8页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No. 50531050);the National Basic Research Program of China (Grant No. 2006CB605100);the Natural Science Foundation for Postdoctoral Scientists of China (GrantNo. 20090450426);the CRI of UNC-Charlotte

摘　　要：The atomic and electronic structures of Pb bilayer/Pt（111） are investigated with two theoretical calculations. We find that the stable （2 × 2）/（3 × 3） Pb/Pt（lll） structure is a promising candidate for being used as a template with self-organized ordered Pb semi-cluster array on the first Pb monolayer. This stable structure can realize the ordered Au single-atom array around the Pb semi-clusters that can cause selective adsorption of noble atoms. The size of Pb magic number semi-cluster plays a more important role in determining the periodicity of the template than the lattice constant misfit between the substrate and the overlayer. This leads to quite a different periodicity between the two stable templates, which are （2 × 2）/（3 × 3） Pb/Pt（111） and Pb/Cu（111）. Therefore, by considering the size of the stable semi-clusters and carefully selecting different substrate materials, we can tune the density of Pb semi-clusters as the nucleation points and then tune the periodicity of the stable template.The atomic and electronic structures of Pb bilayer/Pt（111） are investigated with two theoretical calculations. We find that the stable （2 × 2）/（3 × 3） Pb/Pt（lll） structure is a promising candidate for being used as a template with self-organized ordered Pb semi-cluster array on the first Pb monolayer. This stable structure can realize the ordered Au single-atom array around the Pb semi-clusters that can cause selective adsorption of noble atoms. The size of Pb magic number semi-cluster plays a more important role in determining the periodicity of the template than the lattice constant misfit between the substrate and the overlayer. This leads to quite a different periodicity between the two stable templates, which are （2 × 2）/（3 × 3） Pb/Pt（111） and Pb/Cu（111）. Therefore, by considering the size of the stable semi-clusters and carefully selecting different substrate materials, we can tune the density of Pb semi-clusters as the nucleation points and then tune the periodicity of the stable template.

关 键 词：SELF-ORGANIZING TEMPLATE Chen-MSbius inversion method first-principles calculation 

分 类 号：O415.3[理学—理论物理]