Ternary Weyl semimetal NbIrTe4 proposed from first-principles calculation

Ternary Weyl semimetal NbIrTe4 proposed from first-principles calculation Based on first-principles band-structure calculations, we predict that an inversion-breaking, stoichiometric single crystal NbIrTe4 is a Weyl semimetal candidate. Without spin-orbit coupling (SOC), we find that there are only eight Weyl points in the kz=0 plane. The separation between Weyl points of opposite chiralities is determined by the magnitude of the band inversion. When considering the SOC, NbIrTe4 hosts 16 Weyl points in the whole Brillouin zone. Actually, there are only three irreducible Weyl points and two of them are type-II Weyl points. Finally, the surface-state Fermi arc structures on (001) surface are also obtained. The results on the surface correspond with the properties in the bulk. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Ternary Weyl semimetal NbIrTe4 proposed from first-principles calculation

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Ternary Weyl semimetal NbIrTe4 proposed from first-principles calculation

Abstract

Based on first-principles band-structure calculations, we predict that an inversion-breaking, stoichiometric single crystal NbIrTe4 is a Weyl semimetal candidate. Without spin-orbit coupling (SOC), we find that there are only eight Weyl points in the kz=0 plane. The separation between Weyl points of opposite chiralities is determined by the magnitude of the band inversion. When considering the SOC, NbIrTe4 hosts 16 Weyl points in the whole Brillouin zone. Actually, there are only three irreducible Weyl points and two of them are type-II Weyl points. Finally, the surface-state Fermi arc structures on (001) surface are also obtained. The results on the surface correspond with the properties in the bulk.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.024106
Publisher site
See Article on Publisher Site

Abstract

Based on first-principles band-structure calculations, we predict that an inversion-breaking, stoichiometric single crystal NbIrTe4 is a Weyl semimetal candidate. Without spin-orbit coupling (SOC), we find that there are only eight Weyl points in the kz=0 plane. The separation between Weyl points of opposite chiralities is determined by the magnitude of the band inversion. When considering the SOC, NbIrTe4 hosts 16 Weyl points in the whole Brillouin zone. Actually, there are only three irreducible Weyl points and two of them are type-II Weyl points. Finally, the surface-state Fermi arc structures on (001) surface are also obtained. The results on the surface correspond with the properties in the bulk.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jul 18, 2017

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