关键词: 一维C₃₆聚合物, 电-声相互作用, 超导, 金属-绝缘体相变, 量子化学 计算

Abstract: Based on the calculated band structures of four onedimensional C36 m odel polymers by the semiempirical selfconsistent field crystal orbital method , and provided by a half filled band model with doping of an electron per unit c ell, the intermolecular electronphonon couplings of the polymers a estimated b y means of the meanfield approximation and the deformation potential theory. T he influences of the couplings on the superconductivity and metalinsulator pha se transition temperatures are also investigated. It is found that the intermole cular electronphonon couplings of all the model polymers studied here are very small,having the values of ≈10－5～10－4, being two or three orders of magnitu de less than that of a 1D C60 polymer (=0.054). These very small values of coupl ing constants lead to extremely low superconducting phase transition and metal insulator transition temperatures, which indicate that the intermolecular coupli ngs in 1D C36 polymers have no significant influence on these phase transitions.

Key words: One-dimensional C₃₆ polymers, Electron-phonon coupling, 　Supercond ucting, Metal- insulator transition, Quantum chemistry calculation