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2012 | 122 | 6 | 1045-1048
Article title

Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces

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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.
  • Institute of Experimental Physics, University of Wrocław, pl. M. Borna 9, PL-50-204 Wrocław, Poland
  • 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
  • Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, PL-00-681 Warszawa, Poland
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