Surface stress, surface elasticity, and the size effect in surface segregation

M. Schmid, W. Hofer, P. Varga, Per Stoltze, Karsten Wedel Jacobsen, Jens Kehlet Nørskov

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Abstract

Surface stress and surface elasticity of low-index fcc surfaces have been studied using effective-medium theory potentials. In addition to total-energy calculations giving stress components and elastic data for the surface as a whole, the use of artificial atoms with modified size allows us to probe the stress and elasticity of individual layers. This method of artificial atoms provides a direct way to study the contribution of atomic size to segregation in alloys as well as the driving force of reconstructions driven by surface stress. As an example, we give a qualitative explanation of the face-dependent segregation of Pt-Ni alloys. We also compare results of these atomic-scale calculations with continuum elasticity.
Original languageEnglish
JournalPhysical Review B
Volume51
Issue number16
Pages (from-to)10937-10946
ISSN2469-9950
DOIs
Publication statusPublished - 1995

Bibliographical note

Copyright (1995) by the American Physical Society.

Keywords

  • SANDWICH SEGREGATION
  • SCANNING TUNNELING MICROSCOPY
  • ENERGY ELECTRON-DIFFRACTION
  • FCC METALS
  • TRANSITION-METALS
  • EMBEDDED-ATOM METHOD
  • ION-SCATTERING
  • AU(111) SURFACE
  • COPPER SURFACES
  • MULTILAYER RELAXATION

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