1 Department of Physics, Technical University of Denmark2 Theoretical Atomic-scale Physics, Department of Physics, Technical University of Denmark3 Technische Universität Wien
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.
Physical Review B Condensed Matter, 1995, Vol 51, Issue 16, p. 10937-10946