TY - JOUR
T1 - Two-stage rotational disordering of a molecular crystal surface: C60
AU - Laforge, Christophe
AU - Passerone, D.
AU - Harris, A.B.
AU - Lambin, Philippe
AU - Tosatti, E.
PY - 2001
Y1 - 2001
N2 - 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.
AB - 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.
U2 - 10.1103/PhysRevLett.87.085503
DO - 10.1103/PhysRevLett.87.085503
M3 - Article
SN - 0031-9007
VL - 87
SP - 085503-1-7
JO - Physical review letters
JF - Physical review letters
IS - 8
ER -