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

被引:49
作者
MEDEROS, L [1 ]
NAVASCUES, G [1 ]
机构
[1] UNIV AUTONOMA MADRID,DEPT FIS MAT CONDENSADA,E-28049 MADRID,SPAIN
来源
PHYSICAL REVIEW B | 1994年 / 50卷 / 02期
关键词
D O I
10.1103/PhysRevB.50.1301
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A density-functional approximation is used to study the high-temperature phase diagram of a system of fullerene C60 molecules which are considered as rigid spheres interacting via the Girifalco [J. Phys. Chem. %, 858 (1992)] potential. We discuss the theoretical predictions together with the contradictory results given by computer simulations on the existence of a conventional liquid phase for the fullerene C60. Theory cannot definitively settle this point but the predictions for the melting and freezing lines are in quite good quantitative agreement with simulations results.
引用
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页码:1301 / 1304
页数:4
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