论文标题

蒙特卡洛研究库酸酯超导体中的四频$ d $ - $ p $型号:轨道自由度的角色

Monte Carlo study of cuprate superconductors in a four-band $d$-$p$ model: Role of orbital degrees of freedom

论文作者

Watanabe, Hiroshi, Shirakawa, Tomonori, Seki, Kazuhiro, Sakakibara, Hirofumi, Kotani, Takao, Ikeda, Hiroaki, Yunoki, Seiji

论文摘要

了解库酸酯超导体的复杂相图是一个长期的挑战性问题。最近的研究表明,轨道自由度,包括cu $ e_g $轨道和o $ p $轨道,都是统一理解铜酸盐超导体(包括物质依赖性)的关键要素。在这里,我们调查了使用蒙特卡洛方法的第一原理计算得出的四频$ d $ - $ p $模型,这使我们能够在平等的基础上阐明竞争订单。获得的结果可以始终解释超导性,抗铁磁和条纹相位的掺杂依赖性,不足区域中的相位分​​离,以及在重量重的区域中的新磁性。我们的四频$ d $ - $ p $型号具有相邻的互动互动是一个最小的模型,可以全面描述相图。 $ p $轨道的存在对于电荷条纹功能至关重要,这些功能诱导了两种类型的带有$ s'$ - 波和$ d $ - 波键条纹的条纹阶段。另一方面,$ d_ {z^2} $轨道的存在对于超导过渡温度的物质依赖性是必不可少的($ t _ {\ mathrm {c}} $),并且还可以增强本地磁矩,作为在重大范围内的新型磁性的来源。这些发现以外的一带描述可以为完全说明非常规的正常状态和高$ t _ {\ mathrm {c}} $在Cuprate SuperCondutors中提供一个重大解释。

Understanding the complex phase diagram of cuprate superconductors is a long-standing challenging problem. Recent studies have shown that orbital degrees of freedom, both Cu $e_g$ orbitals and O $p$ orbitals, are a key ingredient for a unified understanding of cuprate superconductors, including the material dependence. Here we investigate a four-band $d$-$p$ model derived from the first-principles calculations with the variational Monte Carlo method, which allows us to elucidate competing orders on an equal footing. The obtained results can consistently explain the doping dependence of superconductivity, antiferromagnetic and stripe phases, phase separation in the underdoped region, and also novel magnetism in the heavily-overdoped region. Our four-band $d$-$p$ model with neighbouring intersite interactions is a minimal model to describe the phase diagram comprehensively. The presence of $p$ orbitals is critical to the charge-stripe features, which induce two types of stripe phases with $s'$-wave and $d$-wave bond stripe. On the other hand, the presence of $d_{z^2}$ orbital is indispensable to material dependence of the superconducting transition temperature ($T_{\mathrm{c}}$), and enhances local magnetic moment as a source of novel magnetism in the heavily-overdoped region as well. These findings beyond one-band description could provide a major step toward a full explanation of unconventional normal state and high $T_{\mathrm{c}}$ in cuprate supercondutors.

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