GROUND-STATE AND PHASE-TRANSITIONS IN SOLID C-60

被引：272
|
作者：
LU, JP [1 ]
LI, XP [1 ]
MARTIN, RM [1 ]
机构：
[1] UNIV ILLINOIS,MAT RES LAB,URBANA,IL 61801
来源：
PHYSICAL REVIEW LETTERS | 1992年 / 68卷 / 10期
关键词：
D O I：
10.1103/PhysRevLett.68.1551
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A simple model is developed to describe the intermolecular interactions in solid C60. The model predicts correctly the observed ground-state structure Pa3BAR and the first-order transition to the high-temperature fcc phase. The calculated transition temperature T(c) approximately 270 K and its pressure dependence dT(c)/dP = 11.5 K/kbar agree very well with recent experiments. Below T(c), there exist nearly degenerate orientations which are separated by potential barriers of order approximately 300 meV, leading to a glassy behavior with T(g) approximately 90-130 K. It is suggested that similar orientational disorder exists in K3C60 and other fullerides.
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页码：1551 / 1554
页数：4
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