Structural and chemical property of unsaturated cyclic-hydrocarbon molecules regularly chemisorbed on Si(0 0 1) surface

K. Akagi, S. Tsuneyuki, Y. Yamashita, K. Hamaguchi, J. Yoshinobu

Research output: Contribution to journalConference article

12 Citations (Scopus)

Abstract

The atomic configuration of C 6 H 8 molecules chemisorbed on Si(001) surface is elucidated by the first-principles molecular dynamics method. The characteristic pattern in the STM image at ~0.6ML coverage is found to be reproduced by considerable thermal fluctuation of the molecules including the change in the molecular conformation. The reaction path and growth mechanism of the chemisorption region is also discussed based on static calculation of the activation barrier.

Original languageEnglish
Pages (from-to)162-167
Number of pages6
JournalApplied Surface Science
Volume234
Issue number1-4
DOIs
Publication statusPublished - 2004 Jul 15
Externally publishedYes
EventThe Ninth International Conference on the Formation of Semicon - Madrid, Spain
Duration: 2003 Sep 152003 Sep 19

Keywords

  • Activation barrier
  • C H
  • Chemisorption
  • First-principles calculation
  • Molecular dynamics
  • Si(0 0 1)

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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