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首页> 外文期刊>Physical review >Charge-density wave induced by combined electron-electron and electron-phonon interactions in 1T-TiSe_2: A variational Monte Carlo study
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Charge-density wave induced by combined electron-electron and electron-phonon interactions in 1T-TiSe_2: A variational Monte Carlo study

机译：1T-TiSe_2中电子-电子和电子-声子的相互作用所诱发的电荷密度波：变分蒙特卡罗研究

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摘要

To clarify the origin of a charge-density wave (CDW) phase in 1T-TiSe_2, we study the ground-state property of a half-filled two-band Hubbard model in a triangular lattice including electron-phonon interaction. By using the variational Monte Carlo method, the electronic and lattice degrees of freedom are both treated quantum mechanically on an equal footing beyond the mean-field approximation. We find that the cooperation between Coulomb interaction and electron-phonon interaction is essential to induce the CDW phase. We show that the "pure" exciton condensation without lattice distortion is difficult to realize under the poor nesting condition of the underlying Fermi surface. Furthermore, by systematically calculating the momentum-resolved hybridization between the two bands, we examine the character of electron-hole pairing from the viewpoint of BCS-BEC crossover within the CDW phase and find that the strong-coupling BEC-like pairing dominates. We therefore propose that the CDW phase observed in 1T-TiSe_2 originates from a BEC-like electron-hole pairing.
机译：为了阐明1T-TiSe_2中电荷密度波（CDW）相的起源，我们研究了包含电子-声子相互作用的三角晶格中半填充的两带式Hubbard模型的基态性质。通过使用变分蒙特卡罗方法，电子和晶格自由度都在均值近似基础上以相等的基础进行了机械的量子处理。我们发现库仑相互作用和电子-声子相互作用之间的合作对于诱导CDW相至关重要。我们表明，在底层费米表面的不良嵌套条件下，难以实现没有晶格畸变的“纯”激子凝聚。此外，通过系统地计算两个谱带之间的动量分辨杂交，我们从CDW相内的BCS-BEC交叉的角度检查了电子-空穴配对的特性，发现强耦合的BEC-样配对占主导。因此，我们建议在1T-TiSe_2中观察到的CDW相起源于类似BEC的电子-空穴对。

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