Ab-inito study of a quasiperiodic Bi monolayer on a fivefold i-AlPdMn surface

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 Bi monolayer formed on a five-fold surface of an icosahedral AlPdMn 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 fivefold surface of i-AlPdMn. This leads to a structural model of the quasiperiodic adlayer with atoms at the vertices and mid-edge positions of the P1-tiling. The internal decoration of the tiles is enforced by the decoration of the circumference of the tiles.

Mots clés: Physical Sciences

Marian Krajci, Juergen Hafner. Ab-inito study of a quasiperiodic Bi monolayer on a fivefold i-AlPdMn surface. Philosophical Magazine, 2006, 86 (06-08), pp.825-830. ⟨10.1080/14786430500256334⟩. ⟨hal-00513576⟩