HIGH-TEMPERATURE PHASE-DIAGRAM OF THE FULLERENE C-60

Citation
L. Mederos et G. Navascues, HIGH-TEMPERATURE PHASE-DIAGRAM OF THE FULLERENE C-60, Physical review. B, Condensed matter, 50(2), 1994, pp. 1301-1304
Citations number
17
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
50
Issue
2
Year of publication
1994
Pages
1301 - 1304
Database
ISI
SICI code
0163-1829(1994)50:2<1301:HPOTFC>2.0.ZU;2-5
Abstract
A density-functional approximation is used to study the high-temperatu re phase diagram of a system of fullerene C60 molecules which are cons idered as rigid spheres interacting via the Girifalco [J. Phys. Chem. %, 858 (1992)] potential. We discuss the theoretical predictions toget her with the contradictory results given by computer simulations on th e existence of a conventional liquid phase for the fullerene C60. Theo ry cannot definitively settle this point but the predictions for the m elting and freezing lines are in quite good quantitative agreement wit h simulations results.