Ab initio study of a quasiperiodic Na monolayer on a five-fold i-Al-Pd-Mn surface

Autor(en)

Marian Krajci, Juergen Hafner

Abstrakt

The structure and stability of a quasiperiodic Na monolayer formed on a five-fold surface of an icosahedral Al-Pd-Mn 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 five-fold surface of i-Al-Pd-Mn. Na atoms adsorbed on the surface arranged to a highly regular quasiperiodic monolayer. The quasiperiodic ordering can be described by a tiling of decagons, hexagons, boats and pentagonal stars (DHBS). The coverage density of the adsorbed monolayer is 0.067 atoms/2

Organisation(en)

Computergestützte Materialphysik

Externe Organisation(en)

Slovenian Academy of Sciences and Arts

Journal

Philosophical Magazine

Band

87

Seiten

2981-2988

Anzahl der Seiten

8

ISSN

1478-6435

DOI

https://doi.org/10.1080/14786430701264137

Publikationsdatum

2007

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/1d0d960d-25bd-487d-9b93-c7bb9488b3a5