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Orientational Order Phase Transition in Solid C60

Published online by Cambridge University Press:  10 February 2011

J. R. Soto ,
R. M. Valladares  and
A. Calles
J. R. Soto
Affiliation:
Depto. de Física, Facultad de Ciencias, UNAM, Apdo. Post. 70-646, 04510 México D. F.
R. M. Valladares
Affiliation:
Depto. de Física, Facultad de Ciencias, UNAM, Apdo. Post. 70-646, 04510 México D. F.
A. Calles
Affiliation:
Instituto Nacional de Investigaciones Nucleares, Carret. México-Toluca, km 36.5, Edo. de Méx., México.
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Abstract

The phonon spectrum and thermal parameters such as specific heat, effective temperature and amplitude of vibration of solid C60 are studied from ab-initio calculations. The relative orientations between the C60 balls are taken into account in a sc phase below 261.4K. The same properties are studied above the transition temperature (261.4K) where the balls are randomly oriented in a fcc structure. A difference is found in some of the thermal parameters due to the relative inter-molecular orientation. In particular, the low energy vibrational spectrum (which is separated by a ∼20meV gap from the intra-molecular spectrum) is changed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 481: Symposium P – Science and Technology of Semiconductor Surface Preparation , 1997 , 285
Copyright
Copyright © Materials Research Society 1998

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References

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