Title
Calculations of the thermal expansion, cohesive energy and thermodynamic stability of a Van der Waals crystal - fullerene C<inf>60</inf>
Date Issued
31 October 1994
Access level
metadata only access
Resource Type
journal article
Author(s)
Zubov V.I.
Tretiakov N.P.
Teixeira Rabelo J.N.
Universidade Federal de Goias
Abstract
The temperature dependence of the intermolecular distance and the cohesive energy in the high-temperature modification of C60 solid fullerene was studied on basis of the correlative method of unsymmetrized self-consistent field. The central intermolecular potential of Girifalco and its approximation by Yakub were used. We conclude about the decisive role of anharmonic effects at high temperatures. The discrepancy between the calculated and experimental values of intermolecular distance does not exceed 0.8% on the whole temperature interval. The temperature of loss of thermodynamic stability was obtained (≈ 1915 K) and a possible melting temperature was estimated (≈ 1400 K). © 1994.
Start page
223
End page
227
Volume
194
Issue
3
Language
English
OCDE Knowledge area
Física atómica, molecular y química
Scopus EID
2-s2.0-0001259827
Source
Physics Letters A
ISSN of the container
03759601
Sources of information: Directorio de Producción Científica Scopus