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
  • Deretzis I.; La Magna A. (2014)
    Structural and electronic inhomogeneity for graphene grown on the C-face of SiC: Insights from ab initio calculations
    in Applied surface science
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Deretzis I.; La Magna A. (literal)
Pagina inizio
  • 69 (literal)
Pagina fine
  • 73 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://www.scopus.com/inward/record.url?eid=2-s2.0-84891835799&partnerID=q2rCbXpz (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 291 (literal)
Rivista
Note
  • Scopu (literal)
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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