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Thermodynamic Properties of the Fcc Modification of Solid Fullerene C60

Published online by Cambridge University Press:  15 February 2011

V.I. Zubov ,
N.P. Tretiakov ,
J.N. Teixeira Rabelo  and
J.F.Sanchez Ortiz
V.I. Zubov
Affiliation:
Universidade Federal de Goiás, Depto Física, 74001-970, Goiânia, GO, Brazil Peoples' Friendship University, Moscow, Russia
N.P. Tretiakov
Affiliation:
Universidade Federal de Goiás, Depto Física, 74001-970, Goiânia, GO, Brazil Peoples' Friendship University, Moscow, Russia
J.N. Teixeira Rabelo
Affiliation:
Universidade Federal de Goiás, Depto Física, 74001-970, Goiânia, GO, Brazil
J.F.Sanchez Ortiz
Affiliation:
Peoples' Friendship University, Moscow, Russia
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Abstract

We have applied the correlative method of unsymmetrized self-consistent field to study thermodynamic properties of the FCC phase of solid fullerene C60 which is stable at T≥261 K. We have calculated the temperature dependences of the intermolecular distance, cohesive energy, bulk moduli, thermal expansion coefficient, elastic constants and sound velocities. The central intermolecular potential of Girifalco and its approximation by Yakub have been used. We have infered the crucial role of anharmonicity of lattice vibrations at high temperatures. It has been noted also that unlike other Van der Waals crystals, for the considered modification of C60 the quantum effects are small at any temperature. Our results agree closely with available experimental data. Some properties near the spinodal point are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 359: Symposium G – Science and Technology of Fullerene Materials , 1994 , 253
Copyright
Copyright © Materials Research Society 1995

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References

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