论文标题
基于集群多极的调制磁结构的生成：应用于$α$ -MN和CO $ M_3 $ S $ _6 $
Generation of modulated magnetic structure based on cluster multipole: Application to $α$-Mn and Co$M_3$S$_6$
论文作者
论文摘要
我们提出了一种系统的方法，可以自动生成给定晶体结构和一般传播矢量K的对称适应的磁性结构，作为复杂调制磁性结构分析的有效方法。该方法是基于多极扩展的生成方案的扩展而开发的，该扩展仅针对传播矢量K = 0 [M.-T.。铃木等人，物理。 Rev. B 99，174407（2019）]。通过将虚拟群集上的多极磁对齐映射到周期性晶体结构，具有波矢量k的相位因子，可以获得以排序矢量K为特征的对称型磁性结构。该方法为给定的晶体结构和波矢量k下的k组下提供了与k组下的所有磁底座。多K磁结构来自与空间组对称性相关的单K磁底座的叠加。我们采用该方案来推断$α$ -MN和CO $ M_ {3} $ s $ _6 $（M = NB，TA）的磁性结构，最近在抗铁磁性相中观察到了大型异常霍尔效应，并识别诱导无网磁磁化的磁性结构。还根据兰道理论讨论了起源于有序阶段中新兴多物的物理现象。
We present a systematic method to automatically generate symmetry-adapted magnetic structures for given crystal structure and general propagation vector k as an efficient approach of the analysis of complex modulated magnetic structures. The method is developed as an extension of the generation scheme based on multipole expansion, which was demonstrated only for the propagation vector k=0 [M.-T. Suzuki et al., Phys. Rev. B 99, 174407 (2019)]. The symmetry-adapted magnetic structures characterized with an ordering vector k are obtained by mapping the multipole magnetic alignments on a virtual cluster to the periodic crystal structure with the phase factor for the wave vector k. This method provides all magnetic bases compatible with irreducible representations under k-group for given crystal structure and wave vector k. Multiple-k magnetic structures are derived from superposition of single-k magnetic bases related with space group symmetry. We apply the scheme to deduce the magnetic structures of $α$-Mn and Co$M_{3}$S$_6$ (M = Nb, Ta), in which large anomalous Hall effect has recently been observed in antiferromagnetic phases, and identify the magnetic structures inducing anomalous Hall effect without net magnetization. The physical phenomena originating from emergent multipoles in the ordered phases are also discussed based on the Landau theory.
