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

Research output: Contribution to journalArticle

2 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)2100-2104
Number of pages5
JournalPhysica B: Condensed Matter
Volume407
Issue number12
DOIs
StatePublished - Jun 15 2012

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Adatoms
adatoms
Adsorption
Atoms
adsorption
Density functional theory
Metals
density functional theory
metals

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

Cite this

Dag, S., Shaughnessy, M., Fong, C. Y., Zhu, X. D., & Yang, L. H. (2012). First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface. Physica B: Condensed Matter, 407(12), 2100-2104. https://doi.org/10.1016/j.physb.2012.02.014

First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface. / Dag, S.; Shaughnessy, M.; Fong, C. Y.; Zhu, X. D.; Yang, L. H.

In: Physica B: Condensed Matter, Vol. 407, No. 12, 15.06.2012, p. 2100-2104.

Research output: Contribution to journalArticle

Dag, S, Shaughnessy, M, Fong, CY, Zhu, XD & Yang, LH 2012, 'First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface', Physica B: Condensed Matter, vol. 407, no. 12, pp. 2100-2104. https://doi.org/10.1016/j.physb.2012.02.014
Dag, S. ; Shaughnessy, M. ; Fong, C. Y. ; Zhu, X. D. ; Yang, L. H. / First principles studies of a Xe atom adsorbed on Nb(1 1 0) surface. In: Physica B: Condensed Matter. 2012 ; Vol. 407, No. 12. pp. 2100-2104.
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