Calculations of the surface stress tensor and surface energy of the (111) surfaces of iridium, platinum and gold

Abstract

A theoretical study of the (111) surfaces of the face-centred cubic transition and noble metals iridium, platinum and gold is reported. The surface stress tensor and surface energy of the unreconstructed (111) surfaces of each of these materials has been calculated using the pseudopotential total energy method. In each case the surface stress is tensile, with the stress for gold being the smallest. The implications of these results for surface stability are discussed.