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利用自洽重整化方法,研究了不同电-声藕合作用下MX络合物中晶格零点振动对电荷密度波(CDW)的影响。对聚乙炔,无论电-声耦合作用强弱,键序波(BOW)总存在。而对MX络合物,计算表明,量子起伏对CDW的削弱作用依赖于电-声耦合作用的强弱。当电-声耦合作用强时,CDW的削弱小;相反,当电-声耦合作用弱时,CDW削弱大,甚至几乎被破坏。这一差异来源于以下事实,即在弱电-声耦合λ情况下,聚乙炔中光学模声子频率随λ1/2减小,而在MX络合物中光学模声子频率与其裸值ω0差The effect of zero-point lattice vibration on the CDW of MX Complex is investigated in a wide range of electron-phonon coupling by using a self-consistent renormalization method. In contrast to the polyacetylene, where the bond order wave exists well in arbitrary coupling, the effect of the quantum fluctuation on CDW of MX solid distinctly depends on the coupling. When the coupling is strong, the reduction of CDW is small;But, if the coupling is weak, the CDW is seriously suppressed and even nearly destroyed. This contrast is related to the fact that for weak coupling, the frequencies of both the acoustic and optical branches are small in polyacetylene, but these frequencies are not well different from the bare value ω0 in MX solid.
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