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Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2012

Elucidating the dynamical equilibrium of C 60 molecules on Ag(111)

H.I. Li
  • Fonction : Auteur
Julian Ledieu
Vincent Fournée
L.L. Wang
  • Fonction : Auteur
S.Y. Su
  • Fonction : Auteur
R.D. Diehl
  • Fonction : Auteur

Résumé

We have used scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), and density functional theory (DFT) to elucidate the structure and thermodynamics of the (2 √ 3 × 2 √ 3)R30 • phase of C 60 on Ag(111), which consists of a mixture of molecules in two different site/orientation states. The structure analysis identifies the two types of molecules as (1) sitting on a vacancy with a hexagon face down and (2) sitting on a top site with a CC bond down. The molecules flip between the two states at a temperature-dependent rate. We show using a thermodynamic analysis that the two states differ by 0.07 eV and are separated by an energy barrier of 0.84 eV. Their dynamical equilibrium involves the diffusion of surface vacancies between C 60 molecules, producing spatially and temporally correlated flipping events.
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Dates et versions

hal-01665213 , version 1 (15-12-2017)

Identifiants

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K. Pussi, H.I. Li, Heekeun Shin, L.N. Serkovic Loli, A. K. Shukla, et al.. Elucidating the dynamical equilibrium of C 60 molecules on Ag(111). Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86 (20), pp.205406 - 205406. ⟨10.1103/PhysRevB.86.205406⟩. ⟨hal-01665213⟩
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