The migration of a Si atom adsorbed on the Si(100)-2 × 1 surface

Lu Yan-Ten, Zhang Zhenyu, Metiu Horia

Research output: Contribution to journalArticlepeer-review

40 Citations (Scopus)


We use the Stillinger-Weber potential to examine the migration of a Si atom adsorbed on Si(100)-2 × 1 surface. The adsorption sites and the barriers between them are determined by energy minimization and used to estimate the rates of the site to site hopping. A stochastic kinetic simulation uses these rates to determine how the adsorbed atom migrates on the surface. We find that the mobility is highly anisotropic and that the motion is quasi one-dimensional. The particle diffuses along the dimer row and then it gets trapped on sites located between the dimers. The activation energy for the diffusion constant is a complicated function of the energy barriers separating the surface sites and the pre-exponential factor may have unusual values.

Original languageEnglish
Pages (from-to)199-209
Number of pages11
JournalSurface Science
Issue number1-3
Publication statusPublished - 1991 Nov 1

All Science Journal Classification (ASJC) codes

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


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