| C60晶体中分子取向性的研究 |
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| 引用本文： | 沈震宇,叶令. C60晶体中分子取向性的研究[J]. 物理学报, 1993, 42(7): 1117-1120. DOI: 10.7498/aps.42.1117 |
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| 作者姓名： | 沈震宇 叶令 |
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| 作者单位： | 复旦大学物理系,上海200433 |
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| 摘 要： | 本文用集团模型计算C60晶体的结合能,考察晶体原胞中四个不等价分子之间的相对取向变化时晶体结合能的相应变化。认为低温下C60晶体的有序化结构在能量上是不简并的,存在一个使能量最低的分子相对取向。关键词：
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| 关 键 词： | 碳团簇 结合能 取向 C60晶体 |
| 收稿时间： | 1992-05-28 |
A PRELIMINARY STUDY ON THE ORIENTATION OF C60 CLUSTERS IN CRYSTAL |
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| SHEN ZHEN-YU and YE LING. A PRELIMINARY STUDY ON THE ORIENTATION OF C60 CLUSTERS IN CRYSTAL[J]. Acta Physica Sinica, 1993, 42(7): 1117-1120. DOI: 10.7498/aps.42.1117 |
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| Authors: | SHEN ZHEN-YU and YE LING |
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| Abstract: | An eighty-seven molecule system is used to simulate the C60 crystal. The binding energy of the system is calculated for various relative orientations of the C60 molecules. It is found that the ground state is not a degenerate state with respect to the orientations between molecules. There is an energy minimum when the relative orientation of nearest neighbor C60 molecules take an angle of 29°, which may refer to the ordered state of simple cubic phase at very low temperatures. |
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