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Structure and dynamics of Na adsorption on Al(100)

Borga, M; Stampfl, C.; Mikkelsen, Anders LU ; Lundgren, Edvin LU ; Adams, D.L.; Scheffler, M. and Anderson, J.N. (2002) Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21) In 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
Abstract
The adsorption of 0.2 monolayers (ML) of Na on Al(100) has been studied both experimentally, using low energy electron diffraction (LEED) and high resolution core level spectroscopy (HRCLS), and theoretically, using density functional theory (DFT). Two ordered phases are found: Islands of c (2×2) symmetry with Na atoms occupying four-fold hollow sites result from low temperature deposition and a (√5×√5)R27° structure with Na in surface substitutional sites is formed by annealing of the low temperature island structure at 300 K and subsequent cooling below 230 K. The (√5×√5)R27° structure undergoes a reversible order-disorder phase transition at ~230 K. To investigate this phase transition further, we performed additional DFT calculations... (More)
The adsorption of 0.2 monolayers (ML) of Na on Al(100) has been studied both experimentally, using low energy electron diffraction (LEED) and high resolution core level spectroscopy (HRCLS), and theoretically, using density functional theory (DFT). Two ordered phases are found: Islands of c (2×2) symmetry with Na atoms occupying four-fold hollow sites result from low temperature deposition and a (√5×√5)R27° structure with Na in surface substitutional sites is formed by annealing of the low temperature island structure at 300 K and subsequent cooling below 230 K. The (√5×√5)R27° structure undergoes a reversible order-disorder phase transition at ~230 K. To investigate this phase transition further, we performed additional DFT calculations for a wide range of coverages (from 0.0625 to 0.5 ML), for adsorption in both hollow and substitutional sites, from which we extract interaction energies which are used in a lattice gas Monte Carlo simulations (Less)
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organization
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type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
Al(100) substrate, Na adsorption dynamics, monolayers, density functional theory, four fold hollow sites, low temperature deposition, substrate substitutional sites, annealing, island structure, cooling, Monte Carlo simulations, order-disorder phase transition, 300 K, 230 K, Al, Na, high resolution core level spectroscopy, LEED, low energy electron diffraction
in
7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
pages
2 pages
publisher
Lund University
conference name
Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)
language
English
LU publication?
yes
id
0aaf54a1-794c-489d-a1a9-61ec3612f31f (old id 611482)
date added to LUP
2007-11-27 10:42:13
date last changed
2016-04-16 09:00:23
@inproceedings{0aaf54a1-794c-489d-a1a9-61ec3612f31f,
  abstract     = {The adsorption of 0.2 monolayers (ML) of Na on Al(100) has been studied both experimentally, using low energy electron diffraction (LEED) and high resolution core level spectroscopy (HRCLS), and theoretically, using density functional theory (DFT). Two ordered phases are found: Islands of c (2×2) symmetry with Na atoms occupying four-fold hollow sites result from low temperature deposition and a (√5×√5)R27° structure with Na in surface substitutional sites is formed by annealing of the low temperature island structure at 300 K and subsequent cooling below 230 K. The (√5×√5)R27° structure undergoes a reversible order-disorder phase transition at ~230 K. To investigate this phase transition further, we performed additional DFT calculations for a wide range of coverages (from 0.0625 to 0.5 ML), for adsorption in both hollow and substitutional sites, from which we extract interaction energies which are used in a lattice gas Monte Carlo simulations},
  author       = {Borga, M and Stampfl, C. and Mikkelsen, Anders and Lundgren, Edvin and Adams, D.L. and Scheffler, M. and Anderson, J.N.},
  booktitle    = {7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science},
  keyword      = {Al(100) substrate,Na adsorption dynamics,monolayers,density functional theory,four fold hollow sites,low temperature deposition,substrate substitutional sites,annealing,island structure,cooling,Monte Carlo simulations,order-disorder phase transition,300 K,230 K,Al,Na,high resolution core level spectroscopy,LEED,low energy electron diffraction},
  language     = {eng},
  pages        = {2},
  publisher    = {Lund University},
  title        = {Structure and dynamics of Na adsorption on Al(100)},
  year         = {2002},
}