Structure and formation of the Al(100)-(root 5 x root 5) R27 degrees-Na phase: a LEED, DFT and HRCLS study
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/328663
- author
- 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
- organization
- publishing date
- 2002
- 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
- 2016-04-01 16:23:51
- date last changed
- 2022-01-28 19:23:16
@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}}, keywords = {{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}}, doi = {{10.1016/S0039-6028(02)01770-3}}, volume = {{515}}, year = {{2002}}, }