Ab initio study of a quasiperiodic Na monolayer on a five-fold i-Al-Pd-Mn surface
- Author(s)
- Marian Krajci, Juergen Hafner
- 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/2
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Slovenian Academy of Sciences and Arts
- Journal
- Philosophical Magazine
- Volume
- 87
- Pages
- 2981-2988
- No. of pages
- 8
- ISSN
- 1478-6435
- DOI
- https://doi.org/10.1080/14786430701264137
- Publication date
- 2007
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/ab-initio-study-of-a-quasiperiodic-na-monolayer-on-a-fivefold-ialpdmn-surface(1d0d960d-25bd-487d-9b93-c7bb9488b3a5).html