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Based on first-principles calculation and effective model analysis, we propose that the cubic antiperovskite material Cu3PdN can host a three-dimensional (3D) topological node-line semimetal state when spin-orbit coupling (SOC) is ignored, which is protected by the coexistence of time-reversal and inversion symmetry. There are three node-line circles in total due to the cubic symmetry. Drumheadlike surface flat bands are also derived. When SOC is included, each node line evolves into a pair of stable 3D Dirac points as protected by C4 crystal symmetry. This is remarkably distinguished from the Dirac semimetals known so far, such as Na3Bi and Cd3As2, both having only one pair of Dirac points. Once C4 symmetry is broken, the Dirac points are gapped and the system becomes a strong topological insulator with (1;111) Z2 indices.

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• In Copyright
  

Keyword: topological phase, Dirac semimetal, nodal line, antiperovskite

Date published: 2015-07-17

Publisher: American Physical Society

Journal:

• Physical Review Letters (ISSN: 00319007) vol. 115 issue. 3 036807

Funding:

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1103/PhysRevLett.115.036807

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Updated at: 2024-01-05 22:12:09 +0900

Published on MDR: 2023-04-28 10:17:36 +0900