Weyl semimetal engineering by symmetry control in NiTe$_2$

Fuente: arXiv
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Autores principales: Junior, Marcos G. O., Araújo, Augusto L., Lopes, Emmanuel V. C., Schmidt, Tome M.
Formato: Preprint
Publicado: 2025
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author Junior, Marcos G. O.
Araújo, Augusto L.
Lopes, Emmanuel V. C.
Schmidt, Tome M.
author_facet Junior, Marcos G. O.
Araújo, Augusto L.
Lopes, Emmanuel V. C.
Schmidt, Tome M.
contents In this work, we investigate the emergence of Weyl points in an inversion symmetry-breaking 1T-NiTe$_2$ system. Through first-principles calculations based on the density functional theory combined with tight-binding methods, we find three distinct sets of Weyl crossings under an appropriate symmetry breaking. The first set, composed of four Weyl points, emerges from the Dirac semimetal. Surprisingly, the other two sets result in additional twenty-four Weyl crossings, depending on the weight of the symmetry breaking. We investigate the topological characteristics of the Weyl semimetals by computing the Weyl chirality, Berry curvature, and the evolution of Wannier charge centers. Additionally, the bulk-boundary correspondence has been shown by computing the Fermi arcs. Our results provide a way for creating and manipulating distinct sets of Weyl points with appropriate external control, which can be valuable for applications in Weyltronics.
format Preprint
id arxiv_https___arxiv_org_abs_2506_13908
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Weyl semimetal engineering by symmetry control in NiTe$_2$
Junior, Marcos G. O.
Araújo, Augusto L.
Lopes, Emmanuel V. C.
Schmidt, Tome M.
Materials Science
Mesoscale and Nanoscale Physics
In this work, we investigate the emergence of Weyl points in an inversion symmetry-breaking 1T-NiTe$_2$ system. Through first-principles calculations based on the density functional theory combined with tight-binding methods, we find three distinct sets of Weyl crossings under an appropriate symmetry breaking. The first set, composed of four Weyl points, emerges from the Dirac semimetal. Surprisingly, the other two sets result in additional twenty-four Weyl crossings, depending on the weight of the symmetry breaking. We investigate the topological characteristics of the Weyl semimetals by computing the Weyl chirality, Berry curvature, and the evolution of Wannier charge centers. Additionally, the bulk-boundary correspondence has been shown by computing the Fermi arcs. Our results provide a way for creating and manipulating distinct sets of Weyl points with appropriate external control, which can be valuable for applications in Weyltronics.
title Weyl semimetal engineering by symmetry control in NiTe$_2$
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2506.13908