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.
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.
出处
《红外与毫米波学报》
SCIE
EI
CAS
CSCD
北大核心
1996年第5期321-326,共6页
Journal of Infrared and Millimeter Waves