【摘要】 用电子—晶格耦合的紧束缚模型研究了光激发和碱金属掺杂Ｃ６０的能量变化．发现在光激发或碱金属掺杂引起的Ｊａｈｎ－Ｔｅｌｅｒ效应中，其能量的变化为弹性能减少，电子能量增加；且弹性能的减少量远大于基态二聚化相变时弹性能的增加量．这些变化特性和基态派尔斯相变时能量的变化特性正好相反更多还原

【Abstract】 The variations of the energy in optically excited C 60 and C 60 doped with alkali metal were studied with the tight binding model. It was found that the lattice deformation induced by optical excitation or alkali metal doping decreases the elastic energy and increases the electronic energy. This phenomenon is contrary to the energy variation in the lattice deformation induced by Peierls instability.更多还原