Ab Initio Studies of Al and Ga Adsorption on 4H-SiC{0001} Surfaces |
| E. Wachowicza, M. Sznajderb,c and J.A. Majewskic
aInstitute of Experimental Physics, University of Wrocław, pl. M. Borna 9, PL-50-204 Wrocław, Poland bInstitute of Physics, University of Rzeszów, PL-35-959 Rzeszów, Poland cInstitute of Theoretical Physics, Faculty of Physics, University of Warsaw, PL-00-681 Warszawa, Poland |
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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. |
| DOI: 10.12693/APhysPolA.122.1045 PACS numbers: 68.47.Fg, 68.35.bg, 68.43.Bc, 68.43.Fg |