Date of this Version
Physical Review Letters
We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C60 fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate regime, between a low-temperature ordered (2×2) state, and a high-temperature (1×1) 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.
Laforge, C., Passerone, D., Harris, A., Lambin, P., & Tosatti, E. (2001). Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60. Physical Review Letters, 87 (8), 085503-1-085503-4. http://dx.doi.org/10.1103/PhysRevLett.87.085503
Date Posted: 20 August 2015
This document has been peer reviewed.