Diffraction refinement of localized antibonding at the Si(111) 7×7 surface

J. Ciston*, A. Subramanian, I. K. Robinson, L. D. Marks

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

We report an experimental refinement of the local charge density at the Si(111) 7×7 surface using a combination of x-ray and high-energy electron diffraction. This method can be generally applied to the charge-density refinement at surfaces of other materials. By perturbing about a bond-centered pseudoatom model, we find experimentally that the adatom electrons occupy antibonding-like backbond states with the atoms below. We are also able to refine a charge transfer of 0.26±0.04 e- from each adatom to the underlying layers, in agreement with full-potential density-functional theory calculations.

Original languageEnglish (US)
Article number193302
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume79
Issue number19
DOIs
StatePublished - May 1 2009

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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