materialscloud:2019.0018/v1
Published May 13, 2019 | Version v1
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MgTa2N3: A reference Dirac semimetal

Creators

  • 1. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland; National Centre for Computational Design and Discovery of Novel Materials MARVEL,Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
  • 2. Institut für Theoretische Physik, ETH Zürich, 8093 Zürich, Switzerland
  • 3. Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Science, Beijing 100190, China

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Description

MgTa2N3 is predicted to host the topological Dirac semimetal phase. This archive includes input data necessary for reproducing first-principles calculation described in the publication.

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References

Journal reference (Paper to which this data refers to.)
QuanSheng Wu, Christophe Piveteau, Zhida Song, and Oleg V. Yazyev Phys. Rev. B 98, 081115(R) (2018), doi: 10.1103/PhysRevB.98.081115