![Sample our Physical Sciences journals, sign in here to start your FREE access for 14 days]({"type":"image" , "src" : "/sda/110819/TOC-Subject-Sample-2021-Physical-Sciences.jpg"})
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.
Acknowledgements
This work has been supported by the Austrian Ministry for Education, Science and Art through the Center for Computational Materials Science (CCMS). M.K. is also grateful for support from from grants No. VEGA-2/5096/25, APVT-51021102, APVT-51052702.