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基于扩展的二维Su-Schrieffer-Heeger模型,研究了库仑钉扎作用对聚噻吩中双空穴极化子附近的局域振动模的影响.除了与激发方式无关的本征振动模外,发现了与激发方式相关的声子振动模式.计算结果与聚噻吩红外和拉曼光谱实验数据相当符合,从而对掺杂诱导和光致激发下聚噻吩吸收光谱的区别给出了较好的理论阐释.
Based on the extended two-dimensional Su-Schrieffer-Heeger model, the effect of Coulomb pinning on the local vibrational modes in the vicinity of the double hole polaron in polythiophene was investigated. Except for the intrinsic vibration modes unrelated to the excitation mode, And the phonon vibration mode related to the excitation mode is obtained.The calculated results are in good agreement with the experimental data of polythiophene infrared and Raman spectroscopy and the theoretical explanation of the difference between the polythiophene absorption spectra under doping and photoinduced excitation is given.