Analytic equation of state and thermodynamic properties of solid FCCC61D2 based on an analytic mean field approach

作者：Yang, Wei; Sun, Jiu Xun^*; Wang, Li Guo

来源：Zeitschrift fur Naturforschung Section A-A Journal of Physical Sciences, 2008, 63(5-6): 321-328.

• AMFP
• Morse potential
• equation of state
• fullerene
• thermodynamic properties

Analytic expressions for the equation of state and internal energy of poly-exponential solids are derived based on the analytic mean field potential (AMFP) method. The formalism is applied to fcc C61D2. Two sets of potential parameters are determined by fitting the experimental compression data of C61D2 up to 1 GPa at 343 and 307 K, respectively. The difference between the two sets of parameters is small. Whereas the difference between the potential of the C61D2 molecules and that of the C-60 molecules is fairly prominent, the conclusion is different from that in the literature, and the reason is unclear at present. The thermo-physical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available for solid C61D2.

• 出版日期2008-6
• 单位电子科技大学