Structure Determination of the Coincidence Phase of Graphene on Ru(0001)
- 2 April 2010
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 104 (13), 136102
- https://doi.org/10.1103/physrevlett.104.136102
Abstract
The structure of the commensurate () phase of graphene on Ru(0001) has been analyzed by quantitative low-energy electron diffraction (LEED)- analysis and density-functional theory calculations. The 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 Å with a minimum C-Ru distance of 2.1 Å. Additionally, lateral displacements of C atoms and a significant buckling in the underlying Ru layers are observed, indicative for strong local C-Ru interactions. DOI: http://dx.doi.org/10.1103/PhysRevLett.104.136102 © 2010 The American Physical Society
Keywords
This publication has 34 references indexed in Scilit:
- Dirac Cones and Minigaps for Graphene on Ir(111)Physical Review Letters, 2009
- Vázquez de Pargaet al.Reply:Physical Review Letters, 2008
- Comment on “Periodically Rippled Graphene: Growth and Spatially Resolved Electronic Structure”Physical Review Letters, 2008
- Chemical origin of a graphene moiré overlayer on Ru(0001)Physical Chemistry Chemical Physics, 2008
- Optimized surface-slab excited-state muffin-tin potential and surface core level shiftsPhysical Review B, 2003
- Light-Atom Location in Adsorbed Benzene by Experiment and TheoryPhysical Review Letters, 2001
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- A photoelectron spectrometer for k-space mapping above the Fermi levelReview of Scientific Instruments, 1997
- Optimization methods and their use in low-energy electron-diffraction calculationsPhysical Review B, 1992
- Efficient Scheme for Calculation of Low-Energy Electron-Diffraction Intensities in the Presence of Large Superlattices, with Application to the Structural Analysis of Benzene Adsorbed on Rh(111)Physical Review Letters, 1983