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Structure and formation of the Al(100)-(root 5 x root 5) R27 degrees-Na phase: a LEED, DFT and HRCLS study

Borg, Mikael LU ; Mikkelsen, Anders LU ; Birgersson, Martin LU ; Smedh, M; Lundgren, Edvin LU ; Adams, DL; Almbladh, Carl-Olof LU and Andersen, Jesper N LU (2002) In Surface Science 515(2-3). p.267-280
Abstract
Adsorption of 0.2 ML Na on Al(1 0 0) at room temperature yields a disordered Al(1 0 0)-(1 x 1)-Na phase, which transforms reversibly to a well-ordered Al(1 0 0)-(root5 x root5)R27degrees-Na phase on cooling below 250 K. Based on low energy electron diffraction (LEED) and high resolution core-level spectroscopy (HRCLS) measurements, and on ab initio calculations, it is concluded that the structure of the Al(1 0 0)-(root5 x root5-)R27degrees-Na phase consists of Na atoms occupying substitutional sites. The structural parameters obtained from LEED and density functional theory analyses are in quantitative agreement. Adsorption of 0.2 ML Na at 100 K yields an Al(1 0 0)-c(2 x 2)-Na island structure, which transforms irreversibly into the (root5... (More)
Adsorption of 0.2 ML Na on Al(1 0 0) at room temperature yields a disordered Al(1 0 0)-(1 x 1)-Na phase, which transforms reversibly to a well-ordered Al(1 0 0)-(root5 x root5)R27degrees-Na phase on cooling below 250 K. Based on low energy electron diffraction (LEED) and high resolution core-level spectroscopy (HRCLS) measurements, and on ab initio calculations, it is concluded that the structure of the Al(1 0 0)-(root5 x root5-)R27degrees-Na phase consists of Na atoms occupying substitutional sites. The structural parameters obtained from LEED and density functional theory analyses are in quantitative agreement. Adsorption of 0.2 ML Na at 100 K yields an Al(1 0 0)-c(2 x 2)-Na island structure, which transforms irreversibly into the (root5 x root5)R27degrees-Na structure by annealing above 190 K. The nature of the reversible and irreversible phase transformations to the (root5 x root5)R27degrees structure is investigated by HRCLS and LEED. (C) 2002 Elsevier Science B.V. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
low energy electron diffraction (LEED), metals, aluminum, alkali, photoelectron spectroscopy, density functional calculations, photoemission (total yield)
in
Surface Science
volume
515
issue
2-3
pages
267 - 280
publisher
Elsevier
external identifiers
  • wos:000177851700007
  • scopus:0036720976
ISSN
0039-6028
DOI
10.1016/S0039-6028(02)01770-3
language
English
LU publication?
yes
id
fda10051-73af-4b4e-afc8-640601be5004 (old id 328663)
date added to LUP
2007-08-10 14:33:00
date last changed
2017-01-01 07:04:10
@article{fda10051-73af-4b4e-afc8-640601be5004,
  abstract     = {Adsorption of 0.2 ML Na on Al(1 0 0) at room temperature yields a disordered Al(1 0 0)-(1 x 1)-Na phase, which transforms reversibly to a well-ordered Al(1 0 0)-(root5 x root5)R27degrees-Na phase on cooling below 250 K. Based on low energy electron diffraction (LEED) and high resolution core-level spectroscopy (HRCLS) measurements, and on ab initio calculations, it is concluded that the structure of the Al(1 0 0)-(root5 x root5-)R27degrees-Na phase consists of Na atoms occupying substitutional sites. The structural parameters obtained from LEED and density functional theory analyses are in quantitative agreement. Adsorption of 0.2 ML Na at 100 K yields an Al(1 0 0)-c(2 x 2)-Na island structure, which transforms irreversibly into the (root5 x root5)R27degrees-Na structure by annealing above 190 K. The nature of the reversible and irreversible phase transformations to the (root5 x root5)R27degrees structure is investigated by HRCLS and LEED. (C) 2002 Elsevier Science B.V. All rights reserved.},
  author       = {Borg, Mikael and Mikkelsen, Anders and Birgersson, Martin and Smedh, M and Lundgren, Edvin and Adams, DL and Almbladh, Carl-Olof and Andersen, Jesper N},
  issn         = {0039-6028},
  keyword      = {low energy electron diffraction (LEED),metals,aluminum,alkali,photoelectron spectroscopy,density functional calculations,photoemission (total yield)},
  language     = {eng},
  number       = {2-3},
  pages        = {267--280},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {Structure and formation of the Al(100)-(root 5 x root 5) R27 degrees-Na phase: a LEED, DFT and HRCLS study},
  url          = {http://dx.doi.org/10.1016/S0039-6028(02)01770-3},
  volume       = {515},
  year         = {2002},
}