Nonadiabatic quantum fluctuations in the neutral ground state of tetrathiafulvalene- p -chloranil
Nonadiabatic quantum fluctuations in the neutral ground state of tetrathiafulvalene- p -chloranil
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四硫富瓦烯-对四氯苯醌中性基态的非绝热量子涨落
DOI：
10.1103/physrevb.100.205205
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发表时间：
2019
影响因子：
3.7
通讯作者：
and Norikazu Tomita
中科院分区：
文献类型：
--
作者：
Yuko Watanabe;Hideo Ando;Akira Takahashi;and Norikazu Tomita
将非绝热共振Hartree-Fock方法应用于具有交错位对角势和Su-Schrieffer-Heeger型电声子耦合的一维扩展Hubbard模型，研究了电荷密度波(CDW)基态下的晶格和电子结构。结果表明，在等距晶格的主CDW态中，出现了小的自旋-Peierls磁区和大的二聚化的CDW磁区。这些区域的呼吸和平移运动的干扰构成了量子涨落。用L-费什巴赫划分方法分析了不同区域的性质。实验结果表明，四硫富瓦烯-氯苯醚(TTF-CA)在CDW基态的电畴为量子涨落，与实验观察到的THz电场引起的中性相电子偶极矩的变化相一致。
A nonadiabatic resonating Hartree-Fock method is applied to the one-dimensional extended Hubbard model with a staggered site-diagonal potential and Su-Schrieffer-Heeger-type electron-phonon coupling to clarify the lattice and electronic structures in the charge-density-wave (CDW) ground state. It is shown that small spin-Peierls-type domains and large dimerized CDW domains appear in the main CDW state having an equidistant lattice. Interference of breathing and translational motions of these domains constitutes quantum fluctuations. The natures of different domains are analyzed by Löwdin-Feshbach partitioning method. The present results, indicating the domains in the CDW ground state as quantum fluctuations, are consistent with the experimentally observed THz electric-field-induced changes in the electronic dipole moment in the neutral phase of tetrathiafulvalene--chloranil (TTF-CA).