导电聚合物的能带结构和光跃迁

ENERGY BAND STRUCTURE AND LIGHT TRANSITION OF CONDUCTIVE POLYMER

采用计及电子电子（ｅｅ）相互作用的扩展的紧束缚模型，研究了非简并基态的导电聚合物—顺式聚乙炔（ｃｉｓＰＡ）的能带结构，发现ｅｅ相互作用的增强和链长的增加均可使其带隙变窄。

The band structure of the nondegenerated polymer cis PA have been studied by adopting extended binding model.Enforcing the e e interactions increasing the length of the chain can make the band gap narrow,and lead to the excited spectrum occurring red shifting.