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Explore the challenges and results in modeling the equilibrium shape of hydrogen-terminated silicon due to surface diffusion. Learn about the difficulties in estimating characteristic timescales and reproducing surface energies for different crystallographic directions.
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Equilibrium shape of hydrogen terminated silicon 2 Hypothesis • Surface diffusion • Directional attachment
Surface Diffusion Hopefully… So Far…
Surface Diffusion • Program: HcParcas • Classical potential: Tersoff III Problems MAIN PROBLEM RESULT • Bad reproduction of surface energies for directions different from (001) or (011) • Hard to estimate the characteristic timescale of the process A smart (jack)ass decided to open Serrano to “borrow” a couple of pieces… Serrano got shut down and I lost both the last results and the software!!!