Analysis of thermodynamic properties of fullerite C60

被引:29
作者
Aksenova, NA [1 ]
Isakina, AP [1 ]
Prokhvatilov, AI [1 ]
Strzhemechny, MA [1 ]
机构
[1] Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, UA-310164 Kharkov, Ukraine
关键词
D O I
10.1063/1.593803
中图分类号
O59 [应用物理学];
学科分类号
摘要
The thermal expansion coefficients of pure fullerite are determined on the basis of powder x-ray studies in the temperature range 30-293 K. The obtained results are in good agreement with dilatometric and neutron-scattering data. The data on thermal expansion are used to analyze the heat capacity at constant volume C-V. The intramolecular component of C-V is analyzed consistently and accurately taking into account the complete set of temperature-dependent intramolecular eigenfrequencies. The rotational component of heat capacity is obtained by subtracting the intramolecular and phonon contributions from the total C-V. The phonon component is evaluated on the basis of the Debye model using the Debye temperature (Theta(D)((0))=55.4 K) calculated from the known sound velocities. The general and partial Gruneisen parameters are calculated as functions of temperature. The results obtained for the high-temperature phase indicate that rotations of C-60 molecules are strongly hindered and intercorrelated. (C) 1999 American Institute of Physics.
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页码:724 / 731
页数:8
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