Nanotube field and one-dimensional fluctuations of C 60 molecules in carbon nanotubes

K. H. Michel, B. Verberck () and A. V. Nikolaev

The European Physical Journal B: Condensed Matter and Complex Systems, 2005, vol. 48, issue 1, 113-124

Abstract: C 60 molecules encapsulated in carbon nanotubes interact by van der Waals forces with the tube walls. The nanotube field leads to orientational confinement of the C 60 molecules which depends on the nanotube radius. In small tubes with radius R T ≤7 Å a fivefold symmetry axis of the molecule coincides with the tube axis, the center of mass of the molecule being located on the tube axis. The interaction between C 60 molecules encapsulated in the nanotube is then described by a O 2 -rotor model on a one-dimensional (1-d) liquid chain with coupling between orientational and displacive degrees of freedom but no long-range order. This coupling leads to a temperature-dependent chain contraction. The structure factor of the 1-d liquid is derived. In tubes with larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of A g modes of C 60 in nanotubes measured by resonant Raman scattering. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Date: 2005
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DOI: 10.1140/epjb/e2005-00378-9

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