4.8 Article

Structure Determination of the Coincidence Phase of Graphene on Ru(0001)

Journal

PHYSICAL REVIEW LETTERS
Volume 104, Issue 13, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.136102

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Funding

  1. German Science Foundation [PE883/1-2]
  2. European Commission [MONET, MEST-CT-2005-020908]

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The structure of the commensurate (23 X 23) phase of graphene on Ru(0001) has been analyzed by quantitative low-energy electron diffraction (LEED)-I(V) analysis and density-functional theory calculations. The I(V) analysis uses Fourier components as fitting parameters to determine the vertical corrugation and the lateral relaxation of graphene and the top Ru layers. Graphene is shown to be strongly corrugated by 1.5 angstrom with a minimum C-Ru distance of 2.1 angstrom. Additionally, lateral displacements of C atoms and a significant buckling in the underlying Ru layers are observed, indicative for strong local C-Ru interactions.

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