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Applied Physics Letters / Volume 100 / Issue 4 / NANOSCALE SCIENCE AND TECHNOLOGY

Appl. Phys. Lett. 100, 043110 (2012); http://dx.doi.org/10.1063/1.3679175 (4 pages)

Side-dependent electron escape from graphene- and graphane-like SiC layers

Paola Gori1, Olivia Pulci2, Margherita Marsili2, and Friedhelm Bechstedt3

1ETSF, CNR-ISM, via Fosso del Cavaliere 100, 00133 Rome, Italy
2ETSF, CNR-ISM, NAST, MIFP, Dipartimento di Fisica, Università di Roma “Tor Vergata,” Via della Ricerca Scientifica 1, 00133 Rome, Italy
3IFTO, Friedrich-Schiller-Universität and ETSF, Max-Wien-Platz 1, 07743 Jena, Germany

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(Received 15 September 2011; accepted 31 December 2011; published online 26 January 2012)

The structural and electronic properties of SiC-based two-dimensional (2D) crystals are studied by means of density functional theory and many-body perturbation theory. Such properties cannot simply be interpolated between graphene and silicene. The replacement of half of the C atoms by Si atoms opens a large direct electronic gap and destroys the Dirac cones. Hydrogenation further opens the gap and significantly reduces the electron affinity to 0.1 or 1.8 eV in dependence on the carbon or silicon termination of the 2D crystal surface, thus showing a unique direction dependent ionization potential. This suggests the use of 2D-SiC:H as electron or hole filter.

© 2012 American Institute of Physics

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KEYWORDS, PACS, and IPC

Keywords

density functional theory, electron affinity, electronic structure, graphene, hydrogenation, ionisation potential, many-body problems, nanostructured materials, perturbation theory, silicon compounds

PACS

  • 73.22.Pr

    Electronic structure of graphene

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

  • 73.61.Wp

    Fullerenes and related materials

  • 61.48.Gh

    Structure of graphene

  • 68.65.Pq

    Graphene films

International Patent Classification (IPC)

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3679175

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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