MICROSCOPIC THEORY OF ORIENTATIONAL DISORDER AND THE ORIENTATIONAL PHASE-TRANSITION IN SOLID C-60

被引：96

作者：

MICHEL, KH ^{[1
]}

COPLEY, JRD ^{[1
]}

NEUMANN, DA ^{[1
]}

机构：

[1] NATL INST STAND & TECHNOL,MAT SCI & ENGN LAB,GAITHERSBURG,MD 20899

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 68卷 / 19期

关键词：

D O I：

10.1103/PhysRevLett.68.2929

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pa3BAR structure is driven by an active multipolar mode of T2g symmetry belonging to the l = 10 manifold. The Birman criterion is satisfied. The transition is found to be of first order.

引用

页码：2929 / 2932

页数：4

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