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arXiv 0801.1891cond-mat.str-el
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电子-晶格关联系统(EDO-TTF)_{2}X的Peierls基态和激发

Peierls ground state and excitations in the electron-lattice correlated system (EDO-TTF)_{2}X

M. Tsuchiizu, Y. Suzumura

摘要:

本文研究了一维有机化合物(EDO-TTF)_{2}X中的奇异Peierls态,其中Peierls跃迁伴随着分子的弯曲和沿一维链的四重周期电荷排列.这样的Peierls态,其中电子相关和电子-声子相互作用之间的相互作用起着重要的作用,检查基于扩展Peierls-Holstein-哈伯德模型,其中包括交替的晶格畸变和分子变形的弹性能。该模型再现了实验观察到的电荷畸变模式,并且存在一个亚稳态,其中能量相对于晶格畸变和/或分子变形取局部最小值。此外,我们研究了Peierls基态和亚稳态的激发态,考虑孤子形成的电子。结果表明,从亚稳态激发孤子所需的能量远小于Peierls态,前者仅随电荷自由度增加,后者随自旋和电荷自由度增加.在此基础上,我们讨论了(EDO-TTF)_{2} PF_{6}中的奇异光致相位。

英文摘要:

We investigate the exotic Peierls state in the one-dimensional organic compound (EDO-TTF)_{2}X, wherein the Peierls transition is accompanied by the bending of molecules and also by a fourfold periodic array of charge disproportionation along the one-dimensional chain. Such a Peierls state, wherein the interplay between the electron correlation and the electron-phonon interaction takes an important role, is examined based on an extended Peierls-Holstein-Hubbard model that includes the alternation of the elastic energies for both the lattice distortion and the molecular deformation. The model reproduces the experimentally observed pattern of the charge disproportionation and there exists a metastable state wherein the energy takes a local minimum with respect to the lattice distortion and/or molecular deformation. Furthermore, we investigate the excited states for both the Peierls ground state and the metastable state by considering the soliton formation of electrons. It is shown that the soliton excitation from the metastable state costs energy that is much smaller than that of the Peierls state, where the former is followed only by the charge degree of freedom and the latter is followed by that of spin and charge. Based on these results, we discuss the exotic photoinduced phase found in (EDO-TTF)_{2}PF_{6}.

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