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research article

Type-I antiferromagnetic Weyl semimetal InMnTi2

Grassano, Davide  
•
Binci, Luca  
•
Marzari, Nicola  
February 2, 2024
Physical Review Research

Topological materials have been a main focus of studies in the past decade due to their protected properties that can be exploited for the fabrication of new devices. Among them, Weyl semimetals are a class of topological semimetals with nontrivial linear band crossings close to the Fermi level. The existence of such crossings requires the breaking of either time-reversal (T ) or inversion (I) symmetry and is responsible for the exotic physical properties. In this work we identify the full-Heusler compound InMnTi2, as a promising, easy to synthesize, T- and I-breaking Weyl semimetal. To correctly capture the nature of the magnetic state, we employed a novel DFT + U computational setup where all the Hubbard parameters are evaluated from first principles; thus preserving a genuinely predictive ab initio character of the theory. We demonstrate that this material exhibits several features that are comparatively more intriguing with respect to other known Weyl semimetals: the distance between two neighboring nodes is large enough to observe a wide range of linear dispersions in the bands, and only one kind of such node's pairs is present in the Brillouin zone. We also show the presence of Fermi arcs stable across a wide range of chemical potentials. Finally, the lack of contributions from trivial points to the low-energy properties makes the materials a promising candidate for practical devices.

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Type
research article
DOI
10.1103/PhysRevResearch.6.013140
Web of Science ID

WOS:001171480100006

Author(s)
Grassano, Davide  
Binci, Luca  
Marzari, Nicola  
Date Issued

2024-02-02

Publisher

Amer Physical Soc

Published in
Physical Review Research
Volume

6

Issue

1

Article Number

013140

Subjects

Physical Sciences

•

Infrastructure

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
FunderGrant Number

NCCR MARVEL, a National Centre of Competence in Research

Swiss National Science Foundation

182892

Available on Infoscience
March 18, 2024
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/206556
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