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Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60

C. Laforge·D. Passerone·A. B. Harris·Ph. Lambin·E. Tosatti
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Abstract

We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C$_{60}$ fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate regime, between a low temperature ordered $(2 \times 2)$ state, and a high temperature $(1 \times 1)$ disordered phase. In the intermediate regime there is partial disorder, strongest for a subset of particularly frustrated surface molecules. These concepts and calculations provide a coherent understanding of experimental observations, with possible extension to other molecular crystal surfaces.

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C. Laforge, D. Passerone, A. B. Harris, Ph. Lambin, E. Tosatti. 2001-01-23. Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60. https://doi.org/10.1103/physrevlett.87.085503

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