Structure determination of Ag(111) by low-energy electron diffraction

• Published in: Surface science 1999-01, Vol.419 (2), p.89-96
• Main Authors: Soares, E.A, Nascimento, V.B, de Carvalho, V.E, de Castilho, C.M.C, de Carvalho, A.V, Toomes, R, Woodruff, D.P
• Format: Article
• Language: English
• Subjects: Applied sciences; Condensed matter: structure, mechanical and thermal properties; Exact sciences and technology; Low-energy electron diffraction (LEED); Low-index single crystal surfaces; Metals. Metallurgy; Physics; Silver; Solid surfaces and solid-solid interfaces; Surface relaxation and reconstruction; Surface structure and topography; Surface structure, morphology, roughness, and topography; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/S0039-6028(98)00744-4

A quantitative structure determination of the Ag(111) clean surface has been performed using low-energy electron diffraction. Optimisation of the outermost layer spacings and vibrational amplitudes was achieved using two different dynamical scattering computational methods, one using the LEEDFIT code and the second exploiting a Simulated Annealing algorithm implemented on the conventional Van Hove/Tong code. The results obtained show that a bulk-terminated structural model describes the data best (Δ d 12=0.00±0.02 Å and Δ d 23=0.00±0.03 Å), and in particular, the analysis excludes a 2.5% contraction of the outermost layer spacing, which was recently reported on the basis of ion-scattering measurements. The LEED result of no contraction is consistent with prior results for the (111) face of several other fcc metals.