Orientational Phase Transition in Solid C_60: A Model Approach
T.I. Schelkacheva, E.E. Tareyeva
TL;DR
This paper presents a simple theoretical model for the orientational phase transition in solid C_60, accurately predicting transition characteristics and aligning well with experimental observations.
Contribution
It introduces a new angular-dependent interaction model for C_60 molecules and analyzes the phase transition using a rigorous bifurcation approach.
Findings
Quantitative agreement with experimental data
Identification of the ordered phase characteristics
Effective modeling of the phase transition
Abstract
A simple model for the angular dependent interaction between C_60 molecules in face centered cubic lattice is proposed and analyzed by use of the rigorous bifurcation approach. The quantitative results for the orientational phase transition and the characteristics of the ordered phase are in good agreement with the experimental data.
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Taxonomy
TopicsFullerene Chemistry and Applications · Advanced Physical and Chemical Molecular Interactions · Advanced Thermodynamics and Statistical Mechanics