Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance

Monica Pozzo, Dario Alfè, Paolo Lacovig, Philip Hofmann, Silvano Lizzit, and Alessandro Baraldi
Phys. Rev. Lett. 106, 135501 – Published 29 March 2011

Abstract

By using ab initio molecular dynamics calculations, we show that even where the graphene lattice constant contracts, as previously reported for freestanding graphene below room temperature, the average carbon-carbon distance increases with temperature, in both free and supported graphene. This results in a larger corrugation at higher temperature, which can affect the interaction between graphene and the supporting substrate. For a weakly interacting system as graphene/Ir(111), we confirm the results using an experimental approach which gives direct access to interatomic distances.

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  • Received 30 September 2010

DOI:https://doi.org/10.1103/PhysRevLett.106.135501

© 2011 American Physical Society

Authors & Affiliations

Monica Pozzo1, Dario Alfè1,2, Paolo Lacovig3, Philip Hofmann4, Silvano Lizzit3, and Alessandro Baraldi5,6,*

  • 1Department of Earth Sciences, Department of Physics and Astronomy, TYC@UCL, and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, United Kingdom
  • 2IOM-CNR, DEMOCRITOS National Simulation Centre, I-34100 Trieste, Italy
  • 3Sincrotrone Trieste S.C.p.A., Area Science Park, S.S. 14 Km 163.5, I-34149 Trieste, Italy
  • 4Department of Physics and Astronomy and Interdisciplinary Nanoscience Center (iNANO), Aarhus University, 8000 Aarhus C, Denmark
  • 5Physics Department and CENMAT, University of Trieste, Via Valerio 2, I-34127 Trieste, Italy
  • 6IOM-CNR, Laboratorio TASC, Area Science Park, S.S. 14 Km 163.5, I-34149 Trieste, Italy

  • *alessandro.baraldi@elettra.trieste.it

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Issue

Vol. 106, Iss. 13 — 1 April 2011

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