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

Marian Krajci (1, 2) , Juergen Hafner (2)

1 Institute of Physics
2 CMS - Center for Computational Materials Science

The structure and stability of a quasiperiodic alkaline-earth metal monolayers formed on a five-fold surface of an icosahedral Al-Pd-Mn quasicrystal have been investigated using ab-initio density-functional methods. We study an influence of the size of adatom on the regularity of the quasiperiodic ordering. It was found that Ca adatoms at the coverage 0.066 atoms /Ų (Θ=0.5) form on the i-Al-Pd-Mn surface a highly regular quasiperiodic monolayer with an ordering described by a decagonal DHBS tiling of decagons, hexagons, boats and pentagonal stars.

Mots clés: Physical Sciences

Marian Krajci, Juergen Hafner. Alkaline-earth metal monolayers on fivefold i-Al-Pd-Mn surface: Influence of adatom size on quasiperiodic ordering. Philosophical Magazine, 2008, 88 (13-15), pp.2117-2122. ⟨10.1080/14786430801995135⟩. ⟨hal-00513878⟩