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Triple nodal points characterized by their nodal-line structure in all magnetic space groups


Lenggenhager, Patrick M; Liu, Xiaoxiong; Neupert, Titus; Bzdušek, Tomáš (2022). Triple nodal points characterized by their nodal-line structure in all magnetic space groups. Physical review B, 106(8):085128.

Abstract

We analyze triply degenerate nodal points [or triple points (TPs) for short] in energy bands of crystalline solids. Specifically, we focus on spinless band structures, i.e., when spin-orbit coupling is negligible, and consider TPs formed along high-symmetry lines in the momentum space by a crossing of three bands transforming according to a one-dimensional (1D) and a two-dimensional (2D) irreducible corepresentation (ICR) of the little cogroup. The result is a complete classification of such TPs in all magnetic space groups, including the nonsymmorphic ones, according to several characteristics of the nodal-line structure at and near the TP. We show that the classification of the presently studied TPs is exhausted by 13 magnetic point groups (MPGs) that can arise as the little cogroup of a high-symmetry line and which support both 1D and 2D spinless ICRs. For 10 of the identified MPGs, the TP characteristics are uniquely determined without further information; in contrast, for the 3 MPGs containing sixfold rotational symmetry, two types of TPs are possible, depending on the choice of the crossing ICRs. The classification result for each of the 13 MPGs is illustrated with first-principles calculations of a concrete material candidate.

Abstract

We analyze triply degenerate nodal points [or triple points (TPs) for short] in energy bands of crystalline solids. Specifically, we focus on spinless band structures, i.e., when spin-orbit coupling is negligible, and consider TPs formed along high-symmetry lines in the momentum space by a crossing of three bands transforming according to a one-dimensional (1D) and a two-dimensional (2D) irreducible corepresentation (ICR) of the little cogroup. The result is a complete classification of such TPs in all magnetic space groups, including the nonsymmorphic ones, according to several characteristics of the nodal-line structure at and near the TP. We show that the classification of the presently studied TPs is exhausted by 13 magnetic point groups (MPGs) that can arise as the little cogroup of a high-symmetry line and which support both 1D and 2D spinless ICRs. For 10 of the identified MPGs, the TP characteristics are uniquely determined without further information; in contrast, for the 3 MPGs containing sixfold rotational symmetry, two types of TPs are possible, depending on the choice of the crossing ICRs. The classification result for each of the 13 MPGs is illustrated with first-principles calculations of a concrete material candidate.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Physics Institute
Dewey Decimal Classification:530 Physics
Language:English
Date:18 August 2022
Deposited On:05 Sep 2022 14:58
Last Modified:27 Jun 2024 01:39
Publisher:American Physical Society
ISSN:2469-9950
OA Status:Green
Publisher DOI:https://doi.org/10.1103/physrevb.106.085128
Project Information:
  • : FunderSNSF
  • : Grant IDPZ00P2_185806
  • : Project TitleTopological band theory of driven and dissipative systems
  • : FunderEuropean Research Council
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  • : Project Title
  • : FunderNational Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
  • : Grant ID
  • : Project Title
  • : FunderChina Scholarship Council
  • : Grant ID
  • : Project Title
  • Content: Published Version
  • Licence: Creative Commons: Attribution 4.0 International (CC BY 4.0)