Prediction of structure-dependent charge transfer rates for a Li atom outside a Si(0 0 1) surface

Keith Niedfeldt, Peter Nordlander, Emily A. Carter

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

We investigate the broadening of the 2s energy level of a Li atom outside a Si(0 0 1) surface using a first principles approach. The covalent nature of the Si surface produces large variations in Li energy level widths as a function of lateral position across the surface. The widths above symmetric Si dimers are predicted to be much larger than above buckled Si dimers, suggesting that charge transfer will occur primarily above symmetric dimers. We discuss the ramifications of our results on the controversy surrounding the relative abundance of the buckled vs. symmetric dimers on the Si surface.

Original languageEnglish (US)
Pages (from-to)L29-L33
JournalSurface Science
Volume601
Issue number5
DOIs
StatePublished - Mar 1 2007

All Science Journal Classification (ASJC) codes

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

Keywords

  • Atom-solid interactions, scattering, diffraction
  • Density functional calculations
  • Ion-solid interactions, scattering, channeling
  • Low index single crystal surfaces
  • Silicon

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