聚苯胺中次近邻电子跳跃对光激发孤子性质的影响

在Baranowski-B櫣tter-Voit(BBV)模型的基础上,考虑了次近邻电子跳跃对PNB(pernigraniline-base)聚合物中带负电孤子和正电孤子能级结构、晶格位形及电荷密度分布的影响.结果表明:逐渐增强的次近邻作用可使两类孤子导带宽度变小,价带宽度变大,电子的跃迁能逐渐增大;孤子的宽度基本不变;负电孤子的电荷密度分布振荡加强,正电孤子的则减弱.初步确定孤子晶格中的次近邻电子跳跃强度β≤0.04.

Effects of Subneighbouring Electronic Hopping on the Photoexcited Solitons' Properties in Polyaniline

On the basis of Baranowski-Bütter-Voit model,the authors consider the effects of subneighbouring electronic hopping on the energy structure,the lattice configuration and the charge density of the positive and negative solitons in subneighbouring electronic.The results show,for the two kinds of solitons,the increase of the subneighbouring coupling strength makes the valence band(VB) expand to a larger range and the conduction band(CB) decrease.At the same time,the transition energy of electrons increases gradually;the width of the two kinds of the solitons varies slightly;the oscillation of charge density of the negative and the positive solitons will enhance,and weaken,respectively.It primaryily suggests that the subneighbouring electronic coupling strength is β≤0.04.