Abstract
Ab-initio total energies test typically model-dependent results of interpreting STM morphologies, and can explain what mechanisms underlie morphology change with time. Ab-initio step- and kink-formation energies for Pb(111) and Pt(111), e.g., show that the experimental results must be revised. Calculations of S-decorated Cu adclusters point to ad-Cu3S3 as an agent of S-enhanced Cu-island decay on Cu(111), in a novel “skyhook effect.”
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Feibelman, P.J. (2001). Surface Morphology and Dynamics: Using Ab-Initio Total Energies to Make the Most of STM Data. In: Tringides, M.C., Chvoj, Z. (eds) Collective Diffusion on Surfaces: Correlation Effects and Adatom Interactions. NATO Science Series II: Mathematics, Physics and Chemistry, vol 29. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0816-7_19
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DOI: https://doi.org/10.1007/978-94-010-0816-7_19
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