反式聚乙炔中孤子的新电子束缚态  

New Localized States of Soliton in Trans polyacetylene

作　　者：郭新力[1] 田巨平[2] 

机构地区：[1]武汉工业学院教务处,湖北荆州434102 [2]江汉石油学院基础科学系,湖北武汉430023

出　　处：《江汉石油学院学报》1999年第3期102-104,共3页Journal of Jianghan Petroleum Institute

基　　金：国家自然科学基金!项目 ( 197740 2 3)

摘　　要：在标准的 SSH模型中 ,加入非近邻电子跳跃作用 ,讨论了聚乙炔中孤子的能谱和电子束缚态。 在孤子能谱中 ,价带与导带之比η大于 1 ,电子空穴对称性消失 ,使理论与实验相符。 孤子的禁带宽度 2略有增加。 对于不同的孤子类型 ,其电子束缚态的数目、位置、局域性均不相同 :负电孤子只有两个分别位于禁带中央和导带底的电子束缚态 ;中性孤子存在 5个电子束缚态 ,与标准的 SSH模型相同 ;对于正电孤子 ,在导带顶还发现了一个新的电子束缚态 ,在其能谱中 ,共发现了 6个分立能级。The energy band structure of soliton and its localized states in trans (CH) x are investigated by using an extended SSH model including non nearest neighbor hopping interactions The electron hole symmetry of energy band is eliminated, which is in agreement with experimental data The energy gap 2Δ is increased slightly The number, location, localization of the bound states trapped by the soliton depend on the type of solitons For a negative charged soliton,only two bound states have been found One of them is a well known midgap state and the other is a new shallow state near the bottom of conduction band For a neutral soliton,all five bound states exist in the standard SSH model For a positive charged soliton, six bound states have been found,one of them is an additional level at the top of conduction band

关 键 词：反式 聚乙炔 孤子 电子束缚态 导电性 

分 类 号：O631.23[理学—高分子化学] O632.17[理学—化学]