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Abstracts
Changes in the atomic and electronic structure of Si- and C-terminated 4H-SiC{0001} surfaces resulting from aluminium and gallium adsorption have been studied within density functional theory framework. Al and Ga coverages ranging from a submonolayer to one monolayer were considered. Our results show that Al binds more strongly to both surfaces than Ga. The binding is stronger to the C-terminated surface for both metals. The sites occupied by Al and Ga atoms at 1 monolayer are different and it is due to a different charge transfer from metal to the substrate.
Discipline
- 68.43.Bc: Ab initiocalculations of adsorbate structure and reactions(for electronic structure of adsorbates, see 73.20.Hb; for adsorbate reactions, see also 82.65.+r Surface and interface chemistry; heterogeneous catalysis at surfaces)
- 68.47.Fg: Semiconductor surfaces
- 68.43.Fg: Adsorbate structure (binding sites, geometry)
- 68.35.bg: Semiconductors
Journal
Year
Volume
Issue
Pages
1045-1048
Physical description
Dates
published
2012-12
Contributors
author
- Institute of Experimental Physics, University of Wrocław, pl. M. Borna 9, PL-50-204 Wrocław, Poland
author
- Institute of Physics, University of Rzeszów, PL-35-959 Rzeszów, Poland
- Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, PL-00-681 Warszawa, Poland
author
- Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, PL-00-681 Warszawa, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv122n621kz