Theoretical Investigations into Self-Organized Ordered Metallic Semi-Clusters Arrays on Metallic Substrate

Xiao-Chun Wang,Han-Yue Zhao,Nan-Xian Chen,Yong Zhang

doi:10.1007/s11671-010-9595-0

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).

Highlights

The microelectronics industries have refined the fabrication methods to make ever smaller devices, but these methods will soon reach their fundamental limits
Using the energy minimization calculations based on an interfacial potential and a first-principles total energy method, respectively, we show that (2 9 2)/(3 9 3) Pb/Cu(111) system is a stable structure among all the [(n - 1) 9 (n - 1)]/(n 9 n) Pb/Cu(111) (n = 2, 3,..., 12) structures
The (2 9 2)/(3 9 3) and (3 9 3)/(4 9 4) Pb bilayer/Cu(111) are stable structures among the [(n - 1) 9 (n - 1)]/ (n 9 n) Pb bilayer/Cu(111) (n = 2, 3,..., 12) structures, which are calculated with molecular dynamics (MD) simulations based on Chen– Mobius inversion potential

Summary

Introduction

The microelectronics industries have refined the fabrication methods to make ever smaller devices, but these methods will soon reach their fundamental limits. Y. Zhang Department of Electrical and Computer Engineering and Center for Optoelectronics, The University of North Carolina at Charlotte, Charlotte, NC 28223-0001, USA systems is to grow self-organized atoms and molecules on well-defined surface templates with periodic structures. Zhang Department of Electrical and Computer Engineering and Center for Optoelectronics, The University of North Carolina at Charlotte, Charlotte, NC 28223-0001, USA systems is to grow self-organized atoms and molecules on well-defined surface templates with periodic structures This idea is of great interest for its promising applications in technology and for a fundamental study [1,2,3,4,5,6,7]. We turn to the selforganized metallic substrate with metal-bilayer/metal(111) structure, which can be used as a template

Methods

Results

Conclusion