Influence of single atomic height steps on F2 reactions with Si(100)-2-1 Reactions with Si(100)-2x1

Lawrence E. Carter, Emily A. Carter

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22 Scopus citations


We have investigated the effect of single atomic height steps on the reactivity of F2 molecules with a clean Si(100)-2x1 reconstructed surface via molecular dynamics simulations using an ab initio derived Stillinger-Weber-type potential. Of the three types of single atomic height steps thought to commonly exist on Si(100) surfaces, the presence of the lower energy SAand SBrebonded steps had a negligible effect on reactivity compared to the perfect (100) surface while the higher energy SB’nonbonded step slightly increased the adsorption probability. These results suggest that current discrepancies between experimental observations and theoretical predictions of the partitioning between reaction channels for F2 reacting with the Si(100) surface are not due to the presence of steps on the silicon surface in the laboratory.

Original languageEnglish (US)
Pages (from-to)2235-2239
Number of pages5
JournalJournal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Issue number4
StatePublished - Jul 1994
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films


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