Generation of modulated magnetic structure based on cluster multipole: Application to $\alpha$-Mn and Co$M_3$S${}_6$

Abstract

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 $\alpha$-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.

15 pages, 12 figures

References in corpus (8)

• Cluster multipole theory for anomalous Hall effect in antiferromagnets
• Toroidal order in metals without local inversion symmetry
• Tetrahedral Magnetic Order and the Metal-Insulator Transition in the Pyrochlore Lattice of Cd2Os2O7
• Nonlinear spin current generation in noncentrosymmetric spin-orbit coupled systems
• Multipole expansion for magnetic structures: A generation scheme for symmetry-adapted orthonormal basis set in crystallographic point group
• Giant anomalous Hall effect in quasi-two-dimensional layered antiferromagnet Co${}_{1/3}$NbS${}_2$
• Multiorbital Effects on Antiferromagnetism in Fe Pnictides
• Multipole order and global/site symmetry in the hidden order phase of URu2Si2

Cited by in corpus (11)

• Magnetic octupoles as the order parameter for unconventional antiferromagnetism
• Spontaneous topological Hall effect induced by non-coplanar antiferromagnetic order in intercalated van der Waals materials
• Unified description of electronic orderings and cross correlations by complete multipole representation
• Magnetic ground state of the Kitaev Na${}_2$Co${}_2$TeO${}_6$ spin liquid candidate
• Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism
• Triple-$\mathcal{Q}$ partial magnetic orders induced by quadrupolar interactions: Triforce order scenario for UNi${}_4$B
• Designing Non-Relativistic Spin Splitting in Oxide Perovskites
• Topological magneto-optics in the non-coplanar antiferromagnet Co_{1/3}NbS_2: Imaging and writing chiral magnetic domains
• High-throughput calculations of antiferromagnets hosting anomalous transport phenomena
• Finite-$q$ antiferrotoroidal and ferritoroidal order in a distorted kagome structure
• Giant octupole moment in magnetic multilayers