Graphene on the C-terminated SiC (000 $\bar{1}$) surface: An ab initio study

Abstract

The atomic and electronic structures of a graphene layer on top of the $(2\times 2)$ reconstruction of the SiC (000$\bar{1}$) surface are studied from ab initio calculations. At variance with the (0001) face, no C bufferlayer is found here. Si adatoms passivate the substrate surface so that the very first C layer presents a linear dispersion characteristic of graphene. A small graphene-substrate interaction remains in agreement with scanning tunneling experiments (F.Hiebel et al. {\it Phys. Rev. B} {\bf 78} 153412 (2008)). The stacking geometry has little influence on the interaction which explains the rotational disorder observed on this face.

4 pages, 3 figures, additional material

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• Electron spectrum of epitaxial graphene monolayers
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• Electronic properties of asymmetrically doped twisted graphene bilayers
• Raman Spectroscopy of magneto-phonon resonances in Graphene and Graphite
• Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: An ab-initio density-functional study
• Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3$\times$3)-3C-SiC($\bar{\text{1}}\bar{\text{1}}\bar{\text{1}}$) reconstruction
• Graphene on the carbon face of SiC: electronic structure modification by hydrogen intercalation
• Density functional theory studies of interactions of graphene with its environment: substrate, gate dielectric and edge effects
• Electronic properties of edge-functionalized zigzag graphene nanoribbons on SiO2 substrate
• How the SiC substrate impacts graphene atomic and electronic structures
• Impact of local stacking on the graphene-impurity interaction: theory and experiments