Structure and dynamics of Na adsorption on Al(100)
(2002) Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)- 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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/611482
- author
- Borga, M ; Stampfl, C. ; Mikkelsen, Anders LU ; Lundgren, Edvin LU ; Adams, D.L. ; Scheffler, M. and Anderson, J.N.
- organization
- publishing date
- 2002
- 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
- host publication
- 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)
- conference location
- Malmö, Sweden
- conference dates
- 2002-06-24 - 2002-06-28
- language
- English
- LU publication?
- yes
- id
- 0aaf54a1-794c-489d-a1a9-61ec3612f31f (old id 611482)
- date added to LUP
- 2016-04-04 11:16:06
- date last changed
- 2018-11-21 21:03:44
@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}}, 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}}, language = {{eng}}, publisher = {{Lund University}}, title = {{Structure and dynamics of Na adsorption on Al(100)}}, year = {{2002}}, }