Molecular dynamics simulation of observed c(4×4) and c(4×3) C60 alignments on the Si(100) reconstructed surface

H. Rafii-Tabar, A. L. TambyRajah, H. Kamiyama, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of C60 molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the C60 monolayer film by this experiment. We have obtained the formation of both c(4 × 4) and c(4 × 3) structures of the molecules and have also obtained phase transitions of the former into the latter.

Original languageEnglish
Pages (from-to)101-110
Number of pages10
JournalModelling and Simulation in Materials Science and Engineering
Volume4
Issue number1
DOIs
Publication statusPublished - 1996 Jan

ASJC Scopus subject areas

  • Modelling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications

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