物理化学学报 >> 1993, Vol. 9 >> Issue (02): 161-164.doi: 10.3866/PKU.WHXB19930204

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C60分子的非线性元激发和电子能谱

阎立根; 王德民; 李明; 贾荣谊   

  1. 北京师范大学物理系，北京 100875；北京大学技术物理系，北京 100871
  • 收稿日期:1992-12-03 修回日期:1992-12-22 发布日期:1993-04-15
  • 通讯作者: 王德民

Non-Linear Elemental Exciton and Electronic Level of C60 Molecule

Yan Li-Gen; Wang De-Min; Li Ming; Jia Rong-Yi   

  1. Department of Technical Physics, Peking University, Beijing 100871; Department of Physics, Beijing Normal University, Beijing 100875
  • Received:1992-12-03 Revised:1992-12-22 Published:1993-04-15
  • Contact: Wang De-Min

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关键词: C60分子, 二聚化, 弦状极化子, SSH模型

Abstract: The electronic states of a C_(60) molecule have been calculated by using the SSH model. The electronic energy spectrum and dimerization on molecular structure are in good agreement with that obtained from the method of molecular orbit and local density function theory. With the SSH model, there is string polaron for both neutral excited and charged C_(60) molecule, and this is consistent with the experimental results. Besides, a comparison has been made between C_(60) and polacetylene.

Key words: C60 molecule, Dimerization, String polaron, SSH model