The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co

Raluca A. Trasca; Nicola Ferralis; Renee D. Diehl; Milton W. Cole

doi:10.1088/0953-8984/16/29/006

The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co

Raluca A. Trasca, Nicola Ferralis, Renee D. Diehl, Milton W. Cole

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Abstract

An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, C_AAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.

Original language	English (US)
Pages (from-to)	S2911-S2921
Journal	Journal of Physics Condensed Matter
Volume	16
Issue number	29
DOIs	https://doi.org/10.1088/0953-8984/16/29/006
State	Published - Jul 28 2004

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics

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title = "The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co",

abstract = "An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, CAAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.",

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T1 - The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co

AU - Trasca, Raluca A.

AU - Ferralis, Nicola

AU - Diehl, Renee D.

AU - Cole, Milton W.

PY - 2004/7/28

Y1 - 2004/7/28

N2 - An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, CAAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.

AB - An interaction potential energy between an adsorbate (Xe and Ar) and the ten-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED experiments, and the Lennard-Jones parameters of Xe-Al, Xe-Ni and Xe-Co are found using semiempirical combining rules. The resulting potential energy function of position is highly corrugated. Monolayer adsorption of Xe and Ar on the quasicrystal surface is investigated in two cases: (1) in the limit of low coverage (Henry's law regime), and (2) at somewhat larger coverage, when interactions between adatoms are considered through the second virial coefficient, CAAS. A comparison with adsorption on a flat surface indicates that the corrugation enhances the effect of the Xe-Xe (Ar-Ar) interactions. The theoretical results for the low coverage adsorption regime are compared to experimental (LEED isobar) data.

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JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

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ER -

The adsorption of Xe and Ar on quasicrystalline Al-Ni-Co

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