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Alkaline-earth metal monolayers on 5-fold i-Al-Pd-Mn surface: Influence of adatom size on quasiperiodic ordering

Autor(en)
Marian Krajci, Juergen Hafner
Abstrakt

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(en)
Computergestützte Materialphysik
Externe Organisation(en)
Slovenian Academy of Sciences and Arts
Journal
Philosophical Magazine
Band
88
Seiten
2117-2122
Anzahl der Seiten
6
ISSN
1478-6435
DOI
https://doi.org/10.1080/14786430801995135
Publikationsdatum
2008
Peer-reviewed
Ja
ÖFOS 2012
103015 Kondensierte Materie
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/10f57dda-5dcd-442e-9db0-48cc27fdb0f1