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

作者：Krajci M^*; Hafner J

来源：Philosophical Magazine, 2008, 88(13-15): 2117-2122.

DOI：10.1080/14786430801995135

• ab-initio
• alkaline-earth metals
• Al-Pd-Mn
• quasicrystals
• surfaces

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/angstrom(2) (Theta = 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.

• 出版日期2008