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.
- Received 10 November 1994
DOI:https://doi.org/10.1103/PhysRevB.51.10937
©1995 American Physical Society