From Nodal Chain Semimetal to Weyl Semimetal in HfC

From Nodal Chain Semimetal to Weyl Semimetal in HfC Based on first-principles calculations and effective model analysis, we propose that the WC-type HfC, in the absence of spin-orbit coupling (SOC), can host a three-dimensional nodal chain semimetal state. Distinguished from the previous material IrF4 [T. Bzdusek et al., Nature 538, 75 (2016)], the nodal chain here is protected by mirror reflection symmetries of a simple space group, while in IrF4 the nonsymmorphic space group with a glide plane is a necessity. Moreover, in the presence of SOC, the nodal chain in WC-type HfC evolves into Weyl points. In the Brillouin zone, a total of 30 pairs of Weyl points in three types are obtained through the first-principles calculations. Besides, the surface states and the pattern of the surface Fermi arcs connecting these Weyl points are studied, which may be measured by future experiments. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review Letters American Physical Society (APS)

From Nodal Chain Semimetal to Weyl Semimetal in HfC

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From Nodal Chain Semimetal to Weyl Semimetal in HfC

Abstract

Based on first-principles calculations and effective model analysis, we propose that the WC-type HfC, in the absence of spin-orbit coupling (SOC), can host a three-dimensional nodal chain semimetal state. Distinguished from the previous material IrF4 [T. Bzdusek et al., Nature 538, 75 (2016)], the nodal chain here is protected by mirror reflection symmetries of a simple space group, while in IrF4 the nonsymmorphic space group with a glide plane is a necessity. Moreover, in the presence of SOC, the nodal chain in WC-type HfC evolves into Weyl points. In the Brillouin zone, a total of 30 pairs of Weyl points in three types are obtained through the first-principles calculations. Besides, the surface states and the pattern of the surface Fermi arcs connecting these Weyl points are studied, which may be measured by future experiments.
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Publisher
American Physical Society (APS)
Copyright
Copyright © © 2017 American Physical Society
ISSN
0031-9007
eISSN
1079-7114
D.O.I.
10.1103/PhysRevLett.119.036401
Publisher site
See Article on Publisher Site

Abstract

Based on first-principles calculations and effective model analysis, we propose that the WC-type HfC, in the absence of spin-orbit coupling (SOC), can host a three-dimensional nodal chain semimetal state. Distinguished from the previous material IrF4 [T. Bzdusek et al., Nature 538, 75 (2016)], the nodal chain here is protected by mirror reflection symmetries of a simple space group, while in IrF4 the nonsymmorphic space group with a glide plane is a necessity. Moreover, in the presence of SOC, the nodal chain in WC-type HfC evolves into Weyl points. In the Brillouin zone, a total of 30 pairs of Weyl points in three types are obtained through the first-principles calculations. Besides, the surface states and the pattern of the surface Fermi arcs connecting these Weyl points are studied, which may be measured by future experiments.

Journal

Physical Review LettersAmerican Physical Society (APS)

Published: Jul 21, 2017

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