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arXiv 2411.12349cond-mat.supr-con
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常压下La$_4$Ni$_3$O$_{10}$中的自旋密度波与超导电性

Spin-density wave and superconductivity in La$_4$Ni$_3$O$_{10}$ under ambient pressure

Ming Zhang, Hongyi Sun, Yu-Bo Liu, Qihang Liu, Wei-Qiang Chen, Fan Yang

AI总结:

本文利用多轨道RPA研究常压下La$_4$Ni$_3$O$_{10}$的自旋密度波与超导潜力,发现Hund耦合驱动条纹状SDW,并确定空穴掺杂及$J_H>0.16U$是实现超导的关键条件。

摘要:

我们利用多轨道随机相位近似(RPA)研究了常压下La$_4$Ni$_3$O$_{10}$中的自旋密度波(SDW)行为及其超导电性(SC)潜力。基于密度泛函理论(DFT)计算得到的十二轨道紧束缚模型,我们探讨了Hubbard相互作用对SDW形成的影响。我们的分析揭示了一种条纹状SDW,其特征为无公度波矢$Q\approx(\pm 0.7π,0)$,这表明可能存在一种密度波不稳定性,与近期实验一致。该构型由外层Ni $d_{z^2}$轨道的嵌套驱动,并在顶部和底部NiO层之间表现出层间反铁磁序,中间层充当节点。我们证明Hund耦合$J_H$是所观测到的SDW的主要驱动因素。虽然在常压下未掺杂体系中不存在超导电性,但通过适当的空穴掺杂($δ=-0.4$)可以实现超导电性,从而产生与高压相类似的超导能隙结构。我们的研究确定了实现常压条纹密度波的具体条件:$J_H>0.16U$。此外,当掺杂导致在(0,0)处产生足够的嵌套时,体系的磁涨落会转变为稳定的Neel型反铁磁态,类似于高压情形。

英文摘要:

We investigate the spin-density wave (SDW) behavior and the potential for superconductivity (SC) in La$_4$Ni$_3$O$_{10}$ under ambient pressure using a multi-orbital random-phase approximation (RPA). Starting with a twelve-orbital tight-binding model derived from density functional theory (DFT) calculations, we explore the influence of Hubbard interactions on SDW formation. Our analysis reveals a stripe-like SDW characterized by an incommensurate wave vector, $Q\approx(\pm 0.7π,0)$, suggesting a possible density wave instability in agreement with recent experiments. This configuration is driven by nesting of outer-layer Ni $d_{z^2}$ orbitals and exhibits interlayer antiferromagnetic ordering between the top and bottom NiO layers, with the middle layer serving as a node. We demonstrate that the Hund's coupling $J_H$ is the primary driver of the observed SDW. While superconductivity is absent in the undoped system under ambient pressure, it becomes attainable with appropriate hole doping ($δ=-0.4$), resulting in a SC gap structure similar to the high-pressure phase. Our study identifies the specific conditions for realizing the ambient pressure stripe density wave: $J_H>0.16U$. Additionally, when doping leads to sufficient nesting at (0,0), the system's magnetic fluctuations transition into a stable Neel-type antiferromagnetic state, analogous to the high-pressure case.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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