Colossal Spin Splitting in the Monolayer of the Collinear Antiferromagnet MnF2,The Journal of Physical Chemistry Letters

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Colossal Spin Splitting in the Monolayer of the Collinear Antiferromagnet MnF2
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-03-03 , DOI: 10.1021/acs.jpclett.1c00282
Sergei A. Egorov _{1,

2} , Robert A. Evarestov ₃

Affiliation

In this Letter we report on the colossal spin splitting (on the order of several electronvolts) in the collinear antiferromagnetic (AFM) MnF₂ (110) monolayer, which we obtained from first-principles calculations and explain in terms of group-theoretical analysis. This Pekar–Rashba AFM-induced spin splitting with a magnetic mechanism does not require the presence of spin–orbit coupling such as with a traditional Rashba–Dresselhaus electric mechanism. Furthermore, it was observed for all wave vectors, including high-symmetry points of the two-dimensional (2D) Brillouin zone. This is in contrast to recently reported AFM-induced spin splitting in the bulk structure of MnF₂, which was both smaller by at least an order of magnitude and required to vanish by symmetry at several high-symmetry points and directions of the three-dimensional Brillouin zone. The crucial part of our group-theoretical analysis is the determination of the magnetic layer group for the monolayer structure for which we propose a simple and generic procedure.

中文翻译：

共线反铁磁体MnF ₂单层中的巨大自旋分裂

在这封信中，我们报告了共线反铁磁（AFM）MnF ₂（110）单层中的巨大自旋分裂（在几个电子伏特的数量级上），这是我们从第一性原理计算中获得的，并根据基团理论分析进行了解释。这种Pekar–Rashba AFM诱导的自旋分裂具有磁性机制，不需要像传统的Rashba–Dresselhaus电动机制那样存在自旋-轨道耦合。此外，还观察到了所有波矢，包括二维（2D）布里渊区的高对称点。这与最近报道的AFM诱导的MnF ₂本体结构中的自旋分裂相反，它们都至少缩小了一个数量级，并且需要在三维布里渊区的几个高对称点和方向上通过对称消失。组理论分析的关键部分是确定单层结构的磁性层组，为此我们提出了一个简单而通用的程序。

更新日期：2021-03-11

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