Physics – Condensed Matter – Materials Science
Scientific paper
2005-02-18
Phys. Rev. Lett. 95, 136104 (2005)
Physics
Condensed Matter
Materials Science
Scientific paper
10.1103/PhysRevLett.95.136104
We report results of the first computer simulation studies of a physically adsorbed gas on a quasicrystalline surface, Xe on decagonal Al-Ni-Co. The grand canonical Monte Carlo method is employed, using a semi-empirical gas-surface interaction, based on conventional combining rules, and the usual Lennard-Jones Xe-Xe interaction. The resulting adsorption isotherms and calculated structures are consistent with the results of LEED experimental data. The evolution of the bulk film begins in the second layer, while the low coverage behavior is epitaxial. This transition from 5-fold to 6-fold ordering is temperature dependent, occurring earlier (at lower coverage) for the higher temperatures.
Cole Milton W.
Curtarolo Stefano
Diehl Renee D.
Ferralis Nicola
Setyawan Wahyu
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