Spin-resolved topology and partial axion angles in three-dimensional insulators

Lin, Kuan-Sen; Palumbo, Giandomenico; Guo, Zhaopeng; Hwang, Yoonseok; Blackburn, Jeremy; Shoemaker, Daniel P.; Mahmood, Fahad; Wang, Zhijun; Fiete, Gregory A.; Wieder, Benjamin J.; Bradlyn, Barry

doi:10.1038/s41467-024-44762-w

Title: Spin-resolved topology and partial axion angles in three-dimensional insulators

Journal Article · Tue Jan 16 00:00:00 EST 2024 · Nature Communications

DOI:https://doi.org/10.1038/s41467-024-44762-w· OSTI ID:2281407

; Palumbo, Giandomenico; Guo, Zhaopeng; Hwang, Yoonseok; Blackburn, Jeremy;

;

Abstract Symmetry-protected topological crystalline insulators (TCIs) have primarily been characterized by their gapless boundary states. However, in time-reversal- ( $$$${{{{{{{\mathcal{T}}}}}}}}$$$$ $T$ -) invariant (helical) 3D TCIs—termed higher-order TCIs (HOTIs)—the boundary signatures can manifest as a sample-dependent network of 1D hinge states. We here introduce nested spin-resolved Wilson loops and layer constructions as tools to characterize the intrinsic bulk topological properties of spinful 3D insulators. We discover that helical HOTIs realize one of three spin-resolved phases with distinct responses that are quantitatively robust to large deformations of the bulk spin-orbital texture: 3D quantum spin Hall insulators (QSHIs), “spin-Weyl” semimetals, and $$$${{{{{{{\mathcal{T}}}}}}}}$$$$ $T$ -doubled axion insulator (T-DAXI) states with nontrivial partial axion angles indicative of a 3D spin-magnetoelectric bulk response and half-quantized 2D TI surface states originating from a partial parity anomaly. Using ab-initio calculations, we demonstrate that β -MoTe ₂ realizes a spin-Weyl state and that α -BiBr hosts both 3D QSHI and T-DAXI regimes.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0021238; SC0022168

OSTI ID:: 2281407

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 15 Journal Issue: 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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