title: Theoretical investigations into self-organized ordered metallic semi-clusters arrays on metallic substrate.
abstract: Using the energy minimization calculations based on an interfacial potential and a first-principles total energy method, respectively, we show that (2 × 2)/(3 × 3) Pb/Cu(111) system is a stable structure among all the [(n - 1) × (n - 1)]/(n × n) Pb/Cu(111) (n = 2, 3,…, 12) structures. The electronic structure calculations indicate that self-organized ordered Pb semi-clusters arrays are formed on the first Pb monolayer of (2 × 2)/(3 × 3) Pb/Cu(111), which is due to a strain-release effect induced by the inherent misfits. The Pb semi-clusters structure can generate selective adsorption of atoms of semiconductor materials (e.g., Ge) around the semi-clusters, therefore, can be used as a template for the growth of nanoscale structures with a very short periodic length (7.67 Å).
authors.affiliation: Department of Physics, Tsinghua University, 100084, Beijing, People's Republic of China. wangxiaochun@tsinghua.org.cn.
authors.forename: Xiao-Chun
authors.initials: XC
authors.lastname: Wang
authors.forename: Han-Yue
authors.initials: HY
authors.lastname: Zhao
authors.forename: Nan-Xian
authors.initials: NX
authors.lastname: Chen
authors.forename: Yong
authors.initials: Y
authors.lastname: Zhang