Phase Transition in a One-dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: II. Linear Behavior in Neutral-to-Ionic Transition

  • Yonemitsu Kenji
    Institute for Molecular Science Graduate University for Advanced Studies

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  • Phase Transition in a One-dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: 2. Linear Behavior in Neutral-to-Ionic Transition

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Abstract

Dynamics of charge density and lattice displacements after the neutral phase is photoexcited is studied by solving the time-dependent Schrödinger equation for a one-dimensional extended Peierls–Hubbard model with alternating potentials. In contrast to the ionic-to-neutral transition studied previously, the neutral-to-ionic transition proceeds in an uncooperative manner as far as the one-dimensional system is concerned. The final ionicity is a linear function of the increment of the total energy. After the electric field is turned off, the electronic state does not significantly change, roughly keeping the ionicity, even if the transition is not completed, because the ionic domains never proliferate. As a consequence, an electric field with frequency just at the linear absorption peak causes the neutral-to-ionic transition the most efficiently. These findings are consistent with the recent experiments on the mixed-stack organic charge–transfer complex, TTF–CA. We artificially modify or remove the electron–lattice coupling to discuss the origin of such differences between the two transitions.

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