Abstract
The structure and stability of a quasiperiodic Na monolayer formed on a five-fold surface of an icosahedral Al–Pd–Mn quasicrystal have been investigated using ab initio density-functional methods. The structural model of the adsorbed monolayer has been constructed on the basis of a mapping of the potential-energy landscape of an isolated adatom on the five-fold surface of i-Al–Pd–Mn. Na atoms adsorbed on the surface arranged to a highly regular quasiperiodic monolayer. The quasiperiodic ordering can be described by a tiling of decagons, hexagons, boats and pentagonal stars (DHBS). The coverage density of the adsorbed monolayer is 0.067 atoms/Å2.
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