Sixfold degenerate nodal-point phonons: Symmetry analysis and materials realization

Chengwu Xie, Ying Liu, Zeying Zhang, Feng Zhou, Tie Yang, Minquan Kuang, Xiaotian Wang, and Gang Zhang
Phys. Rev. B 104, 045148 – Published 28 July 2021

Abstract

Multifold degenerate fermions in electronic structures of topological materials give rise to many interesting physics properties. Among them, three-, six-, and eightfold degenerate fermions in condensed matter systems are considered important because these fermions are not allowed in high-energy physics due to restriction posed by Poincáre symmetry. Phonons are the basic emergent boson of the crystalline lattice. Moreover, topological phonons also exist in crystalline solids, like fermionic electrons, due to the crystal symmetry constraints. Two-, three-, and fourfold degenerate phonons were predicted previously. This study proposes degenerate phonons with the maximum fold, i.e., sixfold; we find them in five space groups (with numbers 218, 220, 222, 223, and 230) through a detailed symmetry analysis. We also propose a series of realistic materials with above-mentioned space group numbers that host sixfold degenerate nodal-point phonons at the high-symmetry points H (or R) point using first-principles calculations. Finally, as examples, we investigate the surface phonon spectrum of C3N4, Sc4C3, Y4Sb3, and K8Si46 materials and find two obvious projected phonon surface states on (110) or (100) surfaces.

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  • Received 26 April 2021
  • Revised 20 June 2021
  • Accepted 16 July 2021

DOI:https://doi.org/10.1103/PhysRevB.104.045148

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Chengwu Xie1,*, Ying Liu2,*, Zeying Zhang3,†, Feng Zhou1, Tie Yang1, Minquan Kuang1, Xiaotian Wang1,‡, and Gang Zhang4,§

  • 1School of Physical Science and Technology, Southwest University, Chongqing 400715, China
  • 2School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China
  • 3College of Mathematics and Physics, Beijing University of Chemical Technology, Beijing 100029, China
  • 4Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), 138632 Singapore

  • *These authors contributed equally to this work.
  • Corresponding author: zzy@mail.buct.edu.cn
  • Corresponding author: xiaotianwang@swu.edu.cn
  • §Corresponding author: zhangg@ihpc.a-star.edu.sg

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Issue

Vol. 104, Iss. 4 — 15 July 2021

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