Prediction of Ideal Topological Semimetals with Triply Degenerate Points in the NaCu3Te2 Family

Jianfeng Wang, Xuelei Sui, Wujun Shi, Jinbo Pan, Shengbai Zhang, Feng Liu, Su-Huai Wei, Qimin Yan, and Bing Huang
Phys. Rev. Lett. 119, 256402 – Published 18 December 2017
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Abstract

Triply degenerate points (TDPs) in band structure of a crystal can generate novel TDP fermions without high-energy counterparts. Although identifying ideal TDP semimetals, which host clean TDP fermions around the Fermi level (EF) without coexisting with other quasiparticles, is critical to explore the intrinsic properties of this new fermion, it is still a big challenge and has not been achieved up to now. Here, we disclose an effective approach to search for ideal TDP semimetals via selective band crossing between antibonding s and bonding p orbitals along a line in the momentum space with C3v symmetry. Applying this approach, we have successfully identified the NaCu3Te2 family of compounds to be ideal TDP semimetals, where two, and only two, pairs of TDPs are located around the EF. Moreover, we demonstrate a fundamental mechanism to modulate energy splitting between a pair of TDPs, and we illustrate the intrinsic features of TDP Fermi arcs in these ideal TDP semimetals.

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  • Received 21 July 2017

DOI:https://doi.org/10.1103/PhysRevLett.119.256402

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Jianfeng Wang1, Xuelei Sui2,1, Wujun Shi2, Jinbo Pan3, Shengbai Zhang4,1, Feng Liu5,6,*, Su-Huai Wei1, Qimin Yan3,†, and Bing Huang1,‡

  • 1Beijing Computational Science Research Center, Beijing 100193, China
  • 2Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084, China
  • 3Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA
  • 4Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, USA
  • 5Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, USA
  • 6Collaborative Innovation Center of Quantum Matter, Beijing 100084, China

  • *fliu@eng.utah.edu
  • qiminyan@temple.edu
  • Bing.Huang@csrc.ac.cn

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Issue

Vol. 119, Iss. 25 — 22 December 2017

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