On a Possible Melting Curve of C60 Fullerite

Details On a Possible Melting Curve of C60 Fullerite On a Possible Melting Curve of C60 Fullerite

2004-12-26

arxiv.org/abs/cond-mat/0412691v1

Phys. Status Solidi (b) 238 (2003) 110-114

Physics

Condensed Matter

Statistical Mechanics

5 pages, 1 figure, pdf

Scientific paper

We study thermodynamic properties of the high-temperature modification of fullerites on the basis of the Girifalco intermolecular potential. In the present work, using the Lindemann's melting criterion we estimate a possible melting curve Tm(P) of C60 fullerite. To take into account the lattice anharmonicity that has strong effect at T >700 K, we use the correlative method of unsymmetrized self-consistent field. The melting curve for C60 fullerite has been calculated from the melting point at normal pressure estimated at 1500 K up to 15 kbar which corresponds to 4000 K. The temperature dependence of the melting pressure is approximated very well by the Simon equation. We have calculated its parameters for C60. The temperature dependence of the molar volume along the melting curve is discribed by logarithmic function.

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