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 et al. · Nat Commun · 2024

basic_science · Level V

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Abstract

Symmetry-protected topological crystalline insulators (TCIs) have primarily been characterized by their gapless boundary states. However, in time-reversal- ([Formula: see text]-) 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 [Formula: see text]-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<sub>2</sub> realizes a spin-Weyl state and that α-BiBr hosts both 3D QSHI and T-DAXI regimes.