Abstract

AbstractThe roles of molecular vibrations during photoinduced phase transitions in strongly correlated electron systems are theoretically studied on the basis of the time evolution of the exact many‐electron and many‐electron–phonon wave functions in extended Holstein–Peierls–Hubbard models. For the transition from a Coulomb‐driven charge‐ordered insulator to a metal, molecular vibrations interfere with charge transfers between neighboring molecules. For the transition from a neutral paraelectric state to an ionic ferroelectric state, they enhance the amplitude of ionicity modulation. They stabilize the initial phase in both cases, but their quantum nature is pronounced only in the former case.

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