First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface

S. Dag; M. Shaughnessy; C. Y. Fong; X. D. Zhu; L. H. Yang

doi:10.1016/j.physb.2012.02.014

First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface

S. Dag, M. Shaughnessy, C. Y. Fong, X. D. Zhu, L. H. Yang

Physics, Applied Physics

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

We study adsorption sites of a single Xe adatom on Nb(1 1 0) surface using a density functional theory approach: the on-top site is the most favorable position for adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (1 1 1) surfaces of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.

Original language	English (US)
Pages (from-to)	2100-2104
Number of pages	5
Journal	Physica B: Condensed Matter
Volume	407
Issue number	12
DOIs	https://doi.org/10.1016/j.physb.2012.02.014
State	Published - Jun 15 2012

Keywords

Adsorption
Charge accumulation
Nb(1 1 0) surface

ASJC Scopus subject areas

Condensed Matter Physics
Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering

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AU - Dag, S.

AU - Shaughnessy, M.

AU - Fong, C. Y.

AU - Zhu, X. D.

AU - Yang, L. H.

PY - 2012/6/15

Y1 - 2012/6/15

N2 - We study adsorption sites of a single Xe adatom on Nb(1 1 0) surface using a density functional theory approach: the on-top site is the most favorable position for adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (1 1 1) surfaces of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.

AB - We study adsorption sites of a single Xe adatom on Nb(1 1 0) surface using a density functional theory approach: the on-top site is the most favorable position for adsorption. We compare the binding features of the present study to earlier studies of a Xe adatom on close-packed (1 1 1) surfaces of face-centered cubic metals. The different features are attributed through a microscopic picture to the less than half filled d-states in Nb.

KW - Adsorption

KW - Charge accumulation

KW - Nb(1 1 0) surface

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First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface

Abstract

Keywords

ASJC Scopus subject areas

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