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

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

摘要

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-MoTe2 realizes a spin-Weyl state and that α-BiBr hosts both 3D QSHI and T-DAXI regimes.