Microscopic theory of orientational disorder and the orientational phase transition in solid C60

K. H. Michel, J. R. D. Copley, and D. A. Neumann
Phys. Rev. Lett. 68, 2929 – Published 11 May 1992
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Abstract

We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pα3¯ structure is driven by an active multipolar of T2g symmetry belonging to the l=10 manifold. The Birman criterion is satisfied. The transition is found to be of first order.

  • Received 26 December 1991

DOI:https://doi.org/10.1103/PhysRevLett.68.2929

©1992 American Physical Society

Authors & Affiliations

K. H. Michel

  • Department of Physics, Universitaire Instelling Antwerpen, B-2610 Wilrijk, Belgium

J. R. D. Copley and D. A. Neumann

  • Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899

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Vol. 68, Iss. 19 — 11 May 1992

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