Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C 60 ⋅ C 8 H 8

Colin Bousige; Stéphane Rols; Julien Cambedouzou; Bart Verberck; Sándor Pekker; Éva Kováts; Gábor Durkó; István Jalsovsky; Eric Pellegrini; Pascale Launois

doi:10.1103/PhysRevB.82.195413

Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C 60 ⋅ C 8 H 8

Colin Bousige ^{1, 2} Stéphane Rols ² Julien Cambedouzou ¹ Bart Verberck Sándor Pekker Éva Kováts Gábor Durkó István Jalsovsky Eric Pellegrini ² Pascale Launois ¹

1 LPS - Laboratoire de Physique des Solides

2 ILL - Institut Laue-Langevin

Abstract : The dynamics of fullerene-cubane C 60 ·C 8 H 8 cocrystal is studied combining experimental x-ray diffuse scattering, quasielastic and inelastic neutron scattering INS and simulation molecular dynamics investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the " rotor-stator " description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism.

Keywords : numbers: 7870Nx 6105cp 8105ub

Type de document :

Article dans une revue

Physical Review B : Condensed matter and materials physics, American Physical Society, 2010, 82 (19), 〈10.1103/PhysRevB.82.195413〉

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Physique [physics]

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Contributeur : Colin Bousige <>
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Lattice dynamics of a rotor-st...

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Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C 60 ⋅ C 8 H 8

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