The role of dimensionality in the decay of surface effects

Matthew G. Reuter*, Nicholas M. Boffi, Mark A. Ratner, Tamar Seideman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

We computationally investigate the decay of surface effects in one-, two-, and three-dimensional materials using two-band tight-binding models. These general models facilitate a direct comparison between materials of differing dimensionality, which reveals that material dimensionality (not material-specific chemistry/physics) is the primary factor controlling the decay of surface effects. Our results corroborate more sophisticated, material-specific studies, finding that surface effects decay after ∼10, ∼25, and 100 layers in three-dimensional, two-dimensional, and one-dimensional materials, respectively. Physically, higher-dimensional materials screen surface effects more efficiently, as theoretically described by integration over each layer's Brillouin zone. Finally, we discuss several implications of these results.

Original languageEnglish (US)
Article number084707
JournalJournal of Chemical Physics
Volume138
Issue number8
DOIs
StatePublished - Feb 28 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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