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Citation: Chen Yuan-Mei, Huang Yuan-He, Liu Ruo-Zhuang. Intermolecular Electron-phonon Coupling in One-dimensional C₃₆ Polymers[J]. Acta Physico-Chimica Sinica, ;2001, 17(03): 196-200. doi: 10.3866/PKU.WHXB20010302 shu

Intermolecular Electron-phonon Coupling in One-dimensional C₃₆ Polymers

1.
Department of Chemistry, Beijing Normal University, Beijing　100875

Received Date: 17 August 2000
Available Online: 15 March 2001

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.
- One-dimensional C₃₆ polymers;Electron-phonon coupling;　Supercond ucting;Metal- insulator transition;Quantum chemistry calculation
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Intermolecular Electron-phonon Coupling in One-dimensional C36 Polymers

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通讯作者: 陈斌, bchen63@163.com

Intermolecular Electron-phonon Coupling in One-dimensional C₃₆ Polymers