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Free energy and orientational phase transition in solid C60

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Zeitschrift für Physik B Condensed Matter

Abstract

On the basis of a microscopic model, the free energy of the orientationally disordered fcc crystalline phase of C60-fullerite is derived up to fourth order in the rotational density fluctuations. The order parameter variables are symmetry adapted rotator functions which belong to thel=6 andl=10 manifolds. They are basis functions ofT 2g representations of the cubic group. The phase transition to thePa3 structure is discussed, and is found to be of first order. The orientationally ordered phase is described in terms of condensed rotator functions.

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

    K. H. Michel

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Michel, K.H. Free energy and orientational phase transition in solid C60 . Z. Physik B - Condensed Matter 88, 71–78 (1992). https://doi.org/10.1007/BF01573839

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  • DOI: https://doi.org/10.1007/BF01573839

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