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在混合卤素金属卤化物中 ,两种单体内的电子 声子和电子 电子相互作用的差异会导致电荷从一种单体转移到另一种单体内 ,进而影响到这种混合结构的电荷密度波 (CDW )性质 .计算发现电荷的自发转移是两单体能带发生相互作用的结果 ;这种电荷转移是导致混合系统稳定性的主要物理因素 ;简单的单体长短并不是决定电荷转移数量的主要因素 ,两种单体的相对配比x起着关键性的作用
In mixed halogenated metal halides, the difference between the electronic phonon and electron-electron interactions in the two monomers results in the transfer of charge from one monomer to another, which in turn affects the charge-density wave of such a hybrid structure (CDW) .It is found that the spontaneous transfer of charge is the result of the interaction of the two monomer bands. The charge transfer is the main physical factor leading to the stability of the hybrid system. The simple monomer length does not determine the number of charge transfer The main factor, the relative ratio of two monomers x plays a key role