Acta Phys. -Chim. Sin. ›› 2001, Vol. 17 ›› Issue (03): 196-200.doi: 10.3866/PKU.WHXB20010302
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Chen Yuan-Mei;Huang Yuan-He;Liu Ruo-Zhuang
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Abstract: Based on the calculated band structures of four onedimensional C36 m odel polymers by the semiempirical selfconsistent field crystal orbital method , and provided by a half filled band model with doping of an electron per unit c ell, the intermolecular electronphonon couplings of the polymers a estimated b y means of the meanfield approximation and the deformation potential theory. T he influences of the couplings on the superconductivity and metalinsulator pha se transition temperatures are also investigated. It is found that the intermole cular electronphonon 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
Chen Yuan-Mei;Huang Yuan-He;Liu Ruo-Zhuang. Intermolecular Electron-phonon Coupling in One-dimensional C36 Polymers[J].Acta Phys. -Chim. Sin., 2001, 17(03): 196-200.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB20010302
http://www.whxb.pku.edu.cn/EN/Y2001/V17/I03/196
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