Alkaline-earth metal monolayers on 5-fold i-Al-Pd-Mn surface: Influence of adatom size on quasiperiodic ordering
- Author(s)
- Marian Krajci, Juergen Hafner
- Abstract
The structure and stability of a quasiperiodic alkaline-earth metal monolayer formed on a five-fold surface of an icosahedral Al–Pd–Mn quasicrystal have been investigated using ab initio density-functional methods. We study the influence of the size of the adatom on the regularity of the quasiperiodic ordering. It was found that Ca adatoms at a coverage 0.066 atoms/Å2 (Θ = 0.5) form a highly regular quasiperiodic monolayer on the i-Al–Pd–Mn surface, with an ordering described by a decagonal DHBS tiling of decagons, hexagons, boats and pentagonal stars.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Slovenian Academy of Sciences and Arts
- Journal
- Philosophical Magazine
- Volume
- 88
- Pages
- 2117-2122
- No. of pages
- 6
- ISSN
- 1478-6435
- DOI
- https://doi.org/10.1080/14786430801995135
- Publication date
- 2008
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/10f57dda-5dcd-442e-9db0-48cc27fdb0f1