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

TitleSide-dependent electron escape from graphene- and graphane-like SiC layers
Publication TypeJournal Article
Year of Publication2012
AuthorsGori, P., Pulci O., Marsili M., & Bechstedt F.
Keywordsdensity functional theory; electron affinity; electronic structure; graphene; hydrogenation; ionisation potential; MBPT; nanostructured materials; perturbation theory; silicon; silicon compounds
Abstract

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.

JournalApplied Physics Letters
Volume100
Issue4
Pagination043110
URLhttp://dx.doi.org/10.1063/1.3679175
Date Published2012/01
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