Self-consisten field crystal orbital study on one-dimensional C_60 polymer

摘要

The linear C-60 polymer was discovered in RbC_60 crystal. Recently, the neutral C_60 chain has also been observed. The discovery has stimulated a great interest in the properties of this new C_60 structure. Several theoretical works have dealt with the band structures of noe-dimensional (1D) C_60 polymer, but no self-consistent field crystal orbital (SCF-CO) study has been reported so far in literatures.