arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2201.11265cond-mat.mtrl-scicond-mat.str-el
收藏

Kagome磁体$R$Mn$_6$Sn$_6$中磁性与能带拓扑的相互影响

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

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

AI总结:

本文通过ab initio计算研究Kagome磁体$R$Mn$_6$Sn$_6$中磁性与拓扑的相互影响,发现稀土磁各向异性源于高阶晶体场参数,且最显著的二维拓扑能带特征远离Fermi能级,无法解释观测到的反常霍尔效应。

摘要:

Kagome晶格磁体$R$Mn$_6$Sn$_6$近期成为探索磁性与拓扑电子态之间相互作用的新平台。该家族最引人注目的特征之一是易磁化方向对稀土元素的强烈依赖,以及Mn平面的kagome几何结构原则上可以产生平带和Dirac点;最近有研究提出,自旋轨道耦合导致的Dirac点打开能隙是TbMn$_6$Sn$_6$成员中观测到的反常霍尔响应的原因。本文通过ab initio计算探讨这两个问题。我们发现高阶晶体场参数和稀土磁各向异性常数在这些系统中发挥重要作用。我们证明稀土各向异性的微观起源可以在不同层面进行量化和理解:ab initio、唯象和解析层面。特别地,我们使用一个简单且物理意义清晰的解析模型,以完全定量一致的方式解释了各向异性在整个系列中的演化。我们分析了Mn主导能带的拓扑性质,并展示了它们如何从多轨道平面kagome模型中产生。我们进一步表明,最显著的准二维色散距离Fermi能级过远,因此无法解释观测到的准二维反常霍尔效应。通过采用ab initio多体方法,我们证明巡游Mn-$d$电子的交换关联效应并未显著改变所得的电子和磁结构。因此我们得出结论,与先前的主张相反,最显著的二维kagome衍生拓扑能带特征与$R$Mn$_6$Sn$_6$中的输运关系不大,尽管可能通过电子或空穴掺杂将其引入关注焦点。

英文摘要:

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.

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。

↑