电荷转移对分子晶体二聚化基态的影响

Effect of Charge Transfer on the Dimerized State of Molecular Crystal

讨论了分子晶体中电荷转移对其二聚化相变、能隙及光电导率等物理性质的影响 .通过正则变换引进电 -声子散射函数 ,讨论分子晶体中电荷转移对二聚化能隙及声子交错序参量、光电导率等的影响 .结果表明 ,电荷转移对系统的二聚化序参量、能隙及光电导率的影响明显 。

This paper discussed the effect of the electrical charge transformation in the molecular crystal. Based on the unitary transformation methods and by introducing the scatter function, the effect of charge transfer on the dimerization gap, the Peierls distortion and the optical absorption of molecular crystal was studied. The result shows that the effect of the electrical charge transformation to the varieties of the dimerization gap, the Peierls distortion and the optical absorption of molecular crystal is very clear, and the relation between the dimerization gap and the Peierls distortion is determined by a group of equations.