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Analyses of Ne-diffraction data from transition-metal surfaces based on charge-density calculations
Affiliation:1. Department of Industrial Engineering, Izmir University of Economics, Izmir, 35330, Turkey;2. Hamburg University of Applied Science, Hamburg, Germany;3. Adam Smith Business School, University of Glasgow, Glasgow, UK
Abstract:We evaluate the proportionality constant β for neon in the Esbjerg-Nørskov potential VR(r) = βϱ(r) from experimental data on Ni(110), Ni(113), Cu(110) and Pd(110). Our calculations using overlapping atomic charge densities require that β be material and surface-dependent. Although Ne diffraction is more sensitive to details of corrugation shapes than He, we found it to be insensitive to normal relaxations of the topmost layers.
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