Theory of surface stress and surface reconstruction
1991; Elsevier BV; Volume: 242; Issue: 1-3 Linguagem: Inglês
10.1016/0039-6028(91)90269-x
ISSN1879-2758
AutoresR. J. Needs, M. J. Godfrey, Marc L. Mansfield,
Tópico(s)Surface and Thin Film Phenomena
ResumoWe investigate the stresses that are present, even in equilibrium, at solid surfaces. First-principles calculations of the surface stress tensor for the aluminium, iridium, platinum and gold (111) surfaces are reported, which indicate the presence of a tensile surface stress in each case. We compare our results for aluminium with those for jellium and discuss the origins of the surface stress. We investigate the role that surface stress may play in driving surface reconstructions in which the density of surface atoms is altered from the corresponding value for the terminated bulk structure. A simple model is discussed which illustrates the competition between the various forces involved in such a reconstruction.
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