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

被引：274

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.

引用

页码：1551 / 1554

页数：4

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