
pmid: 9977794
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.
ENERGY ELECTRON-DIFFRACTION, TRANSITION-METALS, MULTILAYER RELAXATION, FCC METALS, EMBEDDED-ATOM METHOD, COPPER SURFACES, AU(111) SURFACE, SCANNING TUNNELING MICROSCOPY, SANDWICH SEGREGATION, ION-SCATTERING
ENERGY ELECTRON-DIFFRACTION, TRANSITION-METALS, MULTILAYER RELAXATION, FCC METALS, EMBEDDED-ATOM METHOD, COPPER SURFACES, AU(111) SURFACE, SCANNING TUNNELING MICROSCOPY, SANDWICH SEGREGATION, ION-SCATTERING
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