论文标题

Kagome Magnets $ r $ Mn $ _6 $ sn $ _6 $之间的磁性与乐队拓扑之间的相互作用

Interplay between magnetism and band topology in Kagome magnets $R$Mn$_6$Sn$_6$

论文作者

Lee, Y., Skomski, R., Wang, X., Orth, P. P., Ren, Y., Kang, Byungkyun, Pathak, A. K., Kutepov, A., Harmon, B. N., McQueeney, R. J., Mazin, I. I., Ke, Liqin

论文摘要

Kagome-lattice磁铁$ r $ Mn $ _6 $ sn $ _6 $最近成为一个新平台,以利用磁性和拓扑电子状态之间的相互作用。这个家族的一些最令人兴奋的特征是易于磁化方向对稀有地点的巨大依赖性以及MN平面的kagome几何形状,原则上可以产生平坦的频带和迪拉克点;最近有人建议通过旋转轨道耦合来扩大狄拉克点,以负责成员TBMN $ _6 $ sn $ _6 $中观察到的异常大厅响应。在本文中,我们从头开始计算解决了这两个问题。我们发现了这些系统中高阶晶体场参数和稀土磁各向异性常数发挥的重要作用。我们证明,稀土各向异性的微观起源也可以在各个层面上进行量化和理解:从头开始,现象学和分析。特别是,使用简单且物理上透明的分析模型,我们通过完全定量的一致性解释了整个系列各向异性的演变。我们分析了以MN为主的谱带的拓扑特性,并演示了它们如何从多纤维平面Kagome模型中出现。我们进一步表明,最明显的准2D色散与费米水平相距太远,因此无法解释观察到的准2D异常霍尔效应。通过采用从头开始的多体方法,我们证明了巡回Mn- $ d $电子的交换相关效应不会显着改变所获得的电子和磁性结构。因此,我们得出的结论是,与以前的主张相反,最明显的2D Kagome衍生的拓扑带功能与$ r $ Mn $ _6 $ _6 $ sn $ _6 $无关,尽管它们可能会被电子或孔掺杂带来。

Kagome-lattice magnets $R$Mn$_6$Sn$_6$ recently emerged as a new platform to exploit the interplay between magnetism and topological electronic states. Some of the most exciting features of this family are the dramatic dependence of the easy magnetization direction on the rare-earth specie and the kagome geometry of the Mn planes that in principle can generate flat bands and Dirac points; gapping of the Dirac points by spin-orbit coupling has been suggested recently to be responsible for the observed anomalous Hall response in the member TbMn$_6$Sn$_6$. In this paper, we address both issues with ab initio calculations. We have discovered the significant role played by higher-order crystal-field parameters and rare-earth magnetic anisotropy constants in these systems. We demonstrate that the microscopic origin of rare-earth anisotropy can also be quantified and understood at various levels: ab initio, phenomenological, and analytical. In particular, using a simple and physically transparent analytical model, we explain, with full quantitative agreement, the evolution of anisotropy across the series. We analyze the topological properties of Mn-dominated bands and demonstrate how they emerge from the multiorbital planar kagome model. We further show that the most pronounced quasi-2D dispersion are too far removed from the Fermi level, and therefore cannot explain the observed quasi-2D anomalous Hall effect. By employing ab initio many-body approaches, we demonstrate that the exchange-correlation effects for itinerant Mn-$d$ electrons do not significantly alter the obtained electronic and magnetic structure. Therefore, we conclude that, contrary to previous claims, the most pronounced 2D kagome-derived topological band features bear little relevance to transport in $R$Mn$_6$Sn$_6$, albeit they may possibly be brought to focus by electron or hole doping.

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