Title
Thermodynamic properties of the FCC modification of solid fullerene C<inf>60</inf>
Date Issued
01 January 1995
Access level
metadata only access
Resource Type
conference paper
Author(s)
Zubov V.I.
Tretiakov N.P.
Teixeira Rabelo J.N.
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 inferred 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.
Start page
253
End page
258
Volume
359
Language
English
OCDE Knowledge area
Termodinámica
Scopus EID
2-s2.0-0029217258
Source
Materials Research Society Symposium - Proceedings
ISSN of the container
02729172
Sources of information: Directorio de Producción Científica Scopus