http://www.cnr.it/ontology/cnr/individuo/prodotto/ID301144
Structural and electronic inhomogeneity for graphene grown on the C-face of SiC: Insights from ab initio calculations (Articolo in rivista)
- Type
- Label
- Structural and electronic inhomogeneity for graphene grown on the C-face of SiC: Insights from ab initio calculations (Articolo in rivista) (literal)
- Anno
- 2014-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.apsusc.2013.09.126 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Deretzis I.; La Magna A. (literal)
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- http://www.scopus.com/inward/record.url?eid=2-s2.0-84891835799&partnerID=q2rCbXpz (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Istituto per la Microelettronica e Microsistemi (CNR-IMM), VIII Strada 5, 95121 Catania, Italy (literal)
- Titolo
- Structural and electronic inhomogeneity for graphene grown on the C-face of SiC: Insights from ab initio calculations (literal)
- Abstract
- The graphitization of the SiC(0 0 0 1?) plane, commonly referred to as the C-face of SiC, takes place through the sublimation and reorganization of surface atoms upon high-temperature annealing. Often, such reorganization gives rise to ordered atomic reconstructions over the ideally flat (0 0 0 1?) plane. In this article, we use the density functional theory to model graphene/SiC(0 0 0 1?) interfaces with an (1 × 1), (2 × 2) and (3 × 3) SiC periodicity. Our results indicate that the interface geometry can be crucial for both the stability and the electronic characteristics of the first graphitic layer, revealing a complex scenario of binding, doping and electronic correlations. We argue that the presence of more than one interface geometry at different areas of the same sample could be a reason for structural inhomogeneity and n- to p-type transitions. © 2013 Elsevier B.V. (literal)
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