Structure and dynamics of Na adsorption on Al(100)

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

NATURVETENSKAP Fysik Den kondenserade materiens fysik hsv//swe
NATURAL SCIENCES Physical Sciences Condensed Matter Physics hsv//eng
NATURVETENSKAP Fysik Atom- och molekylfysik och optik hsv//swe
NATURAL SCIENCES Physical Sciences Atom and Molecular Physics and Optics hsv//eng
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

Stampfl, C. (author)
Mikkelsen, AndersLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-ami (author)
Lundgren, EdvinLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH(Swepub:lu)slju-elu (author)
Adams, D.L. (author)
Scheffler, M. (author)
Anderson, J.N. (author)
SynkrotronljusfysikFysiska institutionen (creator_code:org_t)

In:7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science

By the author/editor: Borga, M; Stampfl, C.; Mikkelsen, Ander ...; Lundgren, Edvin; Adams, D.L.; Scheffler, M.; show more...; Anderson, J.N.; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Atom and Molecul ...

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