About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review Letters
Paper
Au (100) surface reconstruction
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. © 1986 The American Physical Society.