Bi-induced reconstructions on Si(100)

Shaoping Tang*, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


Two reconstruction structures are proposed for Bi adsorption on Si(100) based on a first-principles local-density-functional molecular-cluster study employing total energies and atomic forces. Bi dimers, rather than monomers, are predicted to form the basic structure on the Si(100) surface. At high coverage, Bi adsorption leads to the breaking of Si dimers, which in turn removes the reconstruction of Si(100)2×1. Our results appear to explain recent results of scanning tunneling microscopy experiments.

Original languageEnglish (US)
Pages (from-to)1701-1704
Number of pages4
JournalPhysical Review B
Issue number3
StatePublished - 1994

ASJC Scopus subject areas

  • Condensed Matter Physics


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