Au (100) Surface Reconstruction
- 11 August 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 57 (6), 719-722
- https://doi.org/10.1103/physrevlett.57.719
Abstract
We study the structure of the reconstructed Au (100) surface, using a phenomenological Hamiltonian, including a many-body force term (the "glue"), carefully optimized to account for a vast variety of properties of solid and liquid gold. The optimal atomic configuration of (100) slabs is obtained by a molecular-dynamics strategy. We find that the glue term drives the reconstruction into a denser, quasitriangular surface layer. By variation of cell size and atom number, the lowest-energy configuration is found to be roughly (1×5), and more precisely (34×5), close to (26×48) suggested by experiment.Keywords
This publication has 9 references indexed in Scilit:
- Competition between pairwise and multi-atom forces at noble metal surfacesSurface Science, 1986
- Electronic model for energies, relaxations and reconstruction trends at metal surfacesSurface Science, 1985
- Real-space observation of the reconstruction of Au(100)Surface Science, 1984
- A simple empirical N-body potential for transition metalsPhilosophical Magazine A, 1984
- Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsPhysical Review B, 1984
- A helium diffraction study of the reconstructed Au(100) surfaceSurface Science, 1983
- The surface reconstructions of the (100) crystal faces of iridium, platinum and goldSurface Science, 1981
- Instability, Distortion, and Dynamics of the W(100) SurfacePhysical Review Letters, 1980
- Characterization of reordered (001) Au surfaces by positive−ion−channeling spectroscopy, LEED, and AESJournal of Vacuum Science and Technology, 1975