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Structure and dynam...
Structure and dynamics of Na adsorption on Al(100)
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Borga, M (author)
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Stampfl, C. (author)
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- Mikkelsen, Anders (author)
- Lund 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
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- Lundgren, Edvin (author)
- Lund 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
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Adams, D.L. (author)
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Scheffler, M. (author)
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Anderson, J.N. (author)
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(creator_code:org_t)
- 2002
- 2002
- English 2 s.
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In: 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science.
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https://lup.lub.lu.s...
Abstract
Subject headings
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- 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
Subject headings
- 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)
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
Publication and Content Type
- kon (subject category)
- ref (subject category)
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