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arXiv · 2103.13035

Hidden Zeeman-type spin polarization in bulk crystals

Shan Guan·Jun-Wei Luo·Shu-Shen Li·Alex Zunger
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Abstract

Exploring hidden effects that have been overlooked given the nominal global crystal symmetry but are indeed visible in solid-state materials has been a fascinating subject of research recently. Here, we introduce a novel hidden Zeeman-type spin polarization (HZSP) in nonmagnetic bulk crystals with sublattice structures. In the momentum space of these crystals, the doubly degenerate bands formed in a certain plane can exhibit a uniform spin configuration with opposite spin orientations perpendicular to this plane, whereas such degenerate states are spatially separated in a pair of real-space sectors. Interestingly, we find that HZSP can manifest itself in both centrosymmetric and non-centrosymmetric materials. We further demonstrate the important role of nonsymmorphic twofold screw-rotational symmetry played in the formation of HZSP. Moreover, two representative material examples, i.e., centrosymmetric WSe$_2$ and noncentrosymmetric BaBi$_4$O$_7$, are identified to show HZSP via first-principles calculations. Our finding thus not only opens new perspectives for hidden spin polarization research but also significantly broadens the range of materials towards spintronics applications.

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Shan Guan, Jun-Wei Luo, Shu-Shen Li, Alex Zunger. 2021-03-24. Hidden Zeeman-type spin polarization in bulk crystals. https://doi.org/10.1103/physrevb.107.l081201

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