过苯胺黑聚合物高压下的极化子态

在改进的Ginder-Epstein模型下, 通过变动模型参数V2,0来表示对过苯胺黑聚合物施压，计算了不同压强下的n型极化子态. 结果表明从零压增加到9.34 GPa，极化子激发能从1.53eV 减小到0.99 eV，致使极化子浓度增加了9个数量级而饱和.同时，芳环扭角晶格弛豫的动力学有效质量从148减小到小于1电子静质量。这结果与实验上观察到的随压力增大聚合物电导率增高直至饱和的现象相吻合，确认了聚合物的极化子导电机制.

The polaron in pernigraniline-base polymer under pressure

A n-type polaron of pernigraniline-base polymer under different pressure was investigated in an extended Ginder-Epstein model, in which parameter V2,0 was varied to stand for pressure. The results showed that: while increasing pressure up to 9.34 GPa, excitation energy for a polaron reduced from 1.53eV to 0.99 eV and its concentration increased nine orders of magnitude. Mean while, kinetic mass of the polaron lattice relaxasion decreased from 148 to less than 1 electron mass.The results agree with the experimental observations that electrical conductivity is increasing with applied pressure until a saturated value. Our theory supports polaron-conduction mechanism for the polymer.