Theoretical Investigations into Self-Organized Ordered Metallic Semi-Clusters Arrays on Metallic Substrate
| Autor: | Xiao-Chun Wang, Nan-Xian Chen, Yong Zhang, Han-Yue Zhao |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2010 |
| Předmět: |
First-principles calculation
Materials science Analytical chemistry Nanochemistry Nanotechnology Electronic structure Molecular dynamics Energy minimization Metal Materials Science(all) Monolayer lcsh:TA401-492 General Materials Science Nanoscopic scale Chemistry/Food Science general Nano Express Material Science Engineering General Template Materials Science general Condensed Matter Physics Interface potential Physics General Selective adsorption visual_art Self-organized visual_art.visual_art_medium Molecular Medicine lcsh:Materials of engineering and construction. Mechanics of materials |
| Zdroj: | Nanoscale Research Letters, Vol 5, Iss 6, Pp 1020-1026 (2010) Nanoscale Research Letters |
| ISSN: | 1931-7573 |
| Popis: | 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). |
| Databáze: | OpenAIRE |
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