Theoretical study of thermodynamic properties of high-temperature phase of C-76 and C-84 fullerites

Theoretical investigations of thermodynamic properties of orientationally disorded phases of fullerites on the basis of the correlative method of unsymmetrized self-consistent field have been done. The results for two higher fullerenes - C-76 and C-84 at normal pressure are reported. The Girifalco potential with appropriate parameters is used. We have solved the equation of state that governs the nearest-neighbour distance in a crystal. We have calculated the isothermal bulk modulus, the isothermal elastic constants, the thermal expansion coefficient, and the Grueneisen parameter. The results are compared with those obtained previously for C-60 We discuss the temperature dependence of the stability coefficients and the mechanism of the loss of the stability at spinodal points T-S.

Авторы
Zubov V.I. , Tretiakov N.P. , Rabelo J.NT.
Издательство
GORDON BREACH SCI PUBL LTD
Номер выпуска
1-4
Язык
Английский
Страницы
349-354
Статус
Опубликовано
Том
13
Год
2000
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/9065/
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