n-hourglass Weyl fermions in nonsymmorphic materials

Yijie Zeng, Luyang Wang, and Dao-Xin Yao
Phys. Rev. B 101, 115110 – Published 9 March 2020

Abstract

Hourglasslike band structures protected by nonsymmorphic space group symmetries can appear along the high-symmetry lines or on the high-symmetry surfaces of the Brillouin zone. In this work, from symmetry analysis, we demonstrate that n-hourglasslike band structures, a generalization of hourglasslike band structures, are enforced along screw-invariant lines in nonmagnetic materials with an N-fold screw axis when spin-orbit coupling is finite, where n, a nonunity factor of N, denotes the degree of the screw-invariant line. The n-hourglass has a minimum of n1 crossings, which are Weyl points with monopole charge ±1. Using compatibility relations, we identify all the space groups that host n-hourglasslike band structures induced by screw symmetries, with n=2,3,4. For N=3 we find Weyl points that are indirectly enforced by symmetries. We construct an effective model, from which we see how the n-hourglasses appear when spin-orbit coupling is turned on. As examples, BiPd, the cinnabar phase of HgTe, and the high-temperature phase of Tl3PbBr5 are shown from first-principles calculations to exhibit n-hourglasslike band structures, with N=2,3,4, respectively, which confirms our symmetry analysis. For N=3 and 4, there are minimally two particle and two hole Fermi pockets enclosing Weyl points at proper fillings, where submanifold nesting may lead to topological density waves.

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  • Received 31 January 2019
  • Revised 12 January 2020
  • Accepted 24 February 2020

DOI:https://doi.org/10.1103/PhysRevB.101.115110

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Yijie Zeng, Luyang Wang*, and Dao-Xin Yao

  • State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-Sen University, Guangzhou 510275, China

  • *wangluyang730@gmail.com
  • yaodaox@mail.sysu.edu.cn

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Issue

Vol. 101, Iss. 11 — 15 March 2020

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