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arXiv 2201.03613cond-mat.supr-concond-mat.mtrl-sci
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重建无限层镍酸盐薄膜的极性界面

Reconstructing the polar interface of infinite-layer nickelate thin films

Berit H. Goodge, Benjamin Geisler, Kyuho Lee, Motoki Osada, Bai Yang Wang, Danfeng Li, Harold Y. Hwang, Rossitza Pentcheva, Lena F. Kourkoutis

AI总结:

本研究通过实验与理论结合,揭示了Nd$_{1-x}$Sr$_x$NiO$_2$与SrTiO$_3$界面形成单层中间层以缓解极性不连续的机制,为未来镍酸盐薄膜的合成提供了指导。

摘要:

镍基超导体提供了一个期待已久的实验平台,用于探索可能的铜氧化物类似超导性。尽管具有相似的晶体结构和 $d$ 电子填充,这些系统仍表现出若干差异。镍酸盐是极性最强的层状氧化物超导体,这引发了关于衬底与薄膜之间界面的问题——迄今为止,这是唯一成功稳定超导性的样品几何结构。我们对 Nd$_{1-x}$Sr$_x$NiO$_2$ 与 SrTiO$_3$ 之间的典型界面进行了详细的实验和理论研究。扫描透射电子显微镜中的原子分辨率电子能量损失谱揭示了单层中间 Nd(Ti,Ni)O$_3$ 层的形成。带有 Hubbard $U$ 项的密度泛函理论计算表明,观察到的结构如何缓解强烈的极性不连续性。我们探讨了氧占据、空穴掺杂和阳离子结构的影响,以区分各自在降低界面电荷密度方面的贡献。解析这一非平凡的界面结构,将为未来在其他衬底上及垂直异质结构中合成镍酸盐薄膜提供指导。

英文摘要:

Nickel-based superconductors provide a long-awaited experimental platform to explore possible cuprate-like superconductivity. Despite similar crystal structure and $d$ electron filling, these systems exhibit several differences. Nickelates are the most polar layered oxide superconductor, raising questions about the interface between substrate and thin film -- thus far the only sample geometry to successfully stabilize superconductivity. We conduct a detailed experimental and theoretical study of the prototypical interface between Nd$_{1-x}$Sr$_x$NiO$_2$ and SrTiO$_3$. Atomic-resolution electron energy loss spectroscopy in the scanning transmission electron microscope reveals the formation of a single intermediate Nd(Ti,Ni)O$_3$ layer. Density functional theory calculations with a Hubbard $U$ term show how the observed structure alleviates the strong polar discontinuity. We explore effects of oxygen occupancy, hole doping, and cation structure to disentangle the contributions of each for reducing interface charge density. Resolving the nontrivial interface structure will be instructive for future synthesis of nickelate films on other substrates and in vertical heterostructures.

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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