Condensed Matter Physics, 2011, vol. 14, No. 4, p. 43802:1-7
DOI:10.5488/CMP.14.43802           arXiv:1202.4846

Title: Growth of graphene on 6H-SiC by molecular dynamics simulation
Author(s):
  N. Jakse (Sciences et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF-CNRS, 1130 rue de la Piscine, BP 75, 38402 Saint-Martin d'Héres Cedex, France) ,
  R. Arifin (Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan) ,
  S.K. Lai (Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan)

Classical molecular-dynamics simulations were carried out to study epitaxial growth of graphene on 6H-SiC(0001) substrate. It was found that there exists a threshold annealing temperature above which we observe formation of graphitic structure on the substrate. To check the sensitivity of the simulation results, we tested two empirical potentials and evaluated their reliability by the calculated characteristics of graphene, its carbon-carbon bond-length, pair correlation function, and binding energy.

Key words: graphene, epitaxial growth, molecular dynamics
PACS: 81.05.ue 31.15.xv 68.55.A-


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