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arXiv 1007.5431cond-mat.supr-concond-mat.str-el
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Hubbard三带模型与Hubbard单带模型在高温铜氧化物中的比较:配对动力学、超导性和基态Phase Diagram

The 3-Band Hubbard-Model versus the 1-Band Model for the high-Tc Cuprates: Pairing Dynamics, Superconductivity and the Ground-State Phase Diagram

W. Hanke, M. L. Kiesel, M. Aichhorn, S. Brehm, E. Arrigoni

摘要:

高- $T_c$超导性(SC)的一个中心挑战是获得对$Cu$ - $d_{x^2-y^2}$和$O$ - $p_{x,y}$轨道自由度的特定作用的详细理解。在大多数理论研究中,使用了有效的单带Hubbard(1BH)或t-J模型。在这里,物理是掺杂到莫特绝缘体,而实际的高$T_c$铜氧化物是掺杂的电荷转移绝缘体。为了阐明相关的问题,在材料相关的物理学进入,我们比较了竞争的磁性和超导相在基态,单粒子和双粒子激发,特别是,配对相互作用及其动力学的三带哈伯德(3BH)和1BH模型。使用集群嵌入方案,即变分集群方法(VCA),我们发现哪些频率是相关的配对在两个模型中作为相互作用强度和掺杂的函数:在3BH模型中的相互作用在低到最佳掺杂制度主要是由延迟配对由于低能量自旋波动,令人惊讶的是带间(p-d电荷)波动的影响很小。另一方面,在1BH模型中,另外一部分来自“高能量”激发态(Hubbard带),其可以被识别为具有非延迟贡献。我们发现,电荷转移和莫特绝缘体之间的这些差异被重正化为3BH-和1BH-模型的基态相图,这是密切的整体协议,即是“普遍的”。另一方面,我们预期差异--以及因此材料依赖性--会在“非通用”有限T相图($T_c$ -值)中显示出来。

英文摘要:

One central challenge in high-$T_c$ superconductivity (SC) is to derive a detailed understanding for the specific role of the $Cu$-$d_{x^2-y^2}$ and $O$-$p_{x,y}$ orbital degrees of freedom. In most theoretical studies an effective one-band Hubbard (1BH) or t-J model has been used. Here, the physics is that of doping into a Mott-insulator, whereas the actual high-$T_c$ cuprates are doped charge-transfer insulators. To shed light on the related question, where the material-dependent physics enters, we compare the competing magnetic and superconducting phases in the ground state, the single- and two-particle excitations and, in particular, the pairing interaction and its dynamics in the three-band Hubbard (3BH) and 1BH-models. Using a cluster embedding scheme, i.e. the variational cluster approach (VCA), we find which frequencies are relevant for pairing in the two models as a function of interaction strength and doping: in the 3BH-models the interaction in the low- to optimal-doping regime is dominated by retarded pairing due to low-energy spin fluctuations with surprisingly little influence of inter-band (p-d charge) fluctuations. On the other hand, in the 1BH-model, in addition a part comes from "high-energy" excited states (Hubbard band), which may be identified with a non-retarded contribution. We find these differences between a charge-transfer and a Mott insulator to be renormalized away for the ground-state phase diagram of the 3BH- and 1BH-models, which are in close overall agreement, i.e. are "universal". On the other hand, we expect the differences - and thus, the material dependence to show up in the "non-universal" finite-T phase diagram ($T_c$-values).

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