Surface mismatch and stress relief mechanisms at metallic surfaces

In the framework of a tight binding model within the second moment approximation (TB-SMA), we show that due to the reduced number of chemical bonds, a large lattice mismatch can exist between the surface lattice parameter and the bulk one on the (1 1 1) surfaces of pure metals. The behavior of this...

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Bibliographic Details
Published in:Applied surface science 2002-03, Vol.188 (1), p.163-169
Main Authors: Bulou, H., Goyhenex, C.
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Reconstruction
Relaxation
Solid surfaces and solid-solid interfaces
Surface mismatch
Surface structure and topography
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
Tight binding
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Summary:In the framework of a tight binding model within the second moment approximation (TB-SMA), we show that due to the reduced number of chemical bonds, a large lattice mismatch can exist between the surface lattice parameter and the bulk one on the (1 1 1) surfaces of pure metals. The behavior of this latter quantity, referred as surface mismatch and obtained by minimizing the surface site energy, can be explained from considerations on the relative range of the repulsive part of the interatomic potential with respect to the attractive one. The link between the large surface mismatch for Au and Pt and their (1 1 1) surface reconstructions as well as the strong dependence of the atom–atom bond lengths with the size of epitaxial islands are discussed.
ISSN:0169-4332
1873-5584
DOI:10.1016/S0169-4332(01)00729-2