Bottom-up design of spin-split and reshaped electronic band structures in antiferromagnets without spin-orbit coupling: Procedure on the basis of augmented multipoles

By S. Hayami, Y. Yanagi, H. Kusunose. Physical review B, 2020

217 citations recorded by the source corpus.

We propose an efficient microscopic design procedure of electronic band structures having intrinsic spin and momentum dependences in spin-orbit-coupling free antiferromagnets. Our bottom-up design approach to creating desired spin-split and reshaped electronic band structures could result in further findings of practical spin-orbit-coupling free materials exhibiting a giant spin-dependent and/or nonreciprocal transport, magnetoelectric and elastic responses, and so on, as a consequence of such band structures. We establish a systematic guideline to construct symmetric/antisymmetric spin-split and antisymmetrically deformed spin-independent band structures in spin-orbit-coupling free systems by using two polar multipole degrees of freedom, i.e., electric and magnetic toroidal multipoles. The two polar multipoles constitute a complete set and describe arbitrary degrees of freedom in the hopping Hamiltonian, whose onsite and offsite degrees of freedom in a cluster are described as the so-called cluster and bond multipoles, respectively, and another degree of freedom connecting between clusters is expressed as momentum multipoles. By using these multipole descriptions, we elucidate simple microscopic conditions to realize intrinsic band deformations in magnetically ordered states: The symmetric spin splitting is realized in collinear magnets when cluster and bond multipoles contain the same symmetry of multipoles. The antisymmetric spin splitting occurs in noncollinear antiferromagnets when a bond-type magnetic toroidal multipole is present. Furthermore, the antisymmetric band deformation with spin degeneracy is realized in noncoplanar antiferromagnets. We exemplify three lattice systems formed by a triangle unit, triangular, kagome, and breathing kagome structures, to demonstrate the band deformations under the magnetic ordering. On the basis of the proposed procedure, we list up various candidate materials showing intrinsic band deformations in accordance with MAGNDATA, magnetic structures database.

Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/3fc5fc11378a94411f06cacf29efb809d5145e26

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In Condensed Matter Physics

1. Vanuildo S. de Carvalho
2. Turan Birol
3. R. Pereira
4. R. Fernandes

In Electronic, Optical and Magnetic Materials

1. F. Huang
2. Vanuildo S. de Carvalho
3. Sang-Wook Cheong
4. Turan Birol
5. R. Pereira
6. R. Fernandes

Citations in the corpus

• Topological transition from nodal to nodeless Zeeman splitting in altermagnets (2023, methodology): “[46] to model spin-split bands in antiferromagnets without SOC, in which case functions analogous to diμ (k) described electric multipole moments arising from different types of intra-unitcell “antiferromagnetism”.”
• Crystal-symmetry-paired spin–valley locking in a layered room-temperature metallic altermagnet candidate (2024, unknown): “…https://doi.org/10.1038/s41567-025-02864-2 current 11,13,18,24 including both non-relativistic spin-polarized currents as in ferromagnetic materials due to unequal spin-up and spin-down carriers and non-relativistic pure spin currents like in strong SOC materials due to the spin Hall effect.”
• Altermagnetism with non-collinear spins (2024, background): “Altermagnets 15-20 are magnets with collinear antiferro-arrangement of one-kind spins (i.e. ‘alter’nating spins), and also simultaneously with ‘alter’nating orientations of local structures around spins in such a way that the symmetry allows ferromagnetic behaviors (non-zero net magnetic moment,…”