Fermi energy Weyl nodes in $\mathbf{AM}$Te$_4$ ($\mathbf{A}$=Ta, Nb, $\mathbf{M}$=Ir, Rh)

TL;DR

This paper predicts multiple types of Weyl points near the Fermi energy in $AM$Te$_4$ compounds, clarifying their electronic structure and linking theoretical predictions with experimental observations.

Contribution

It introduces a comprehensive search method revealing the complex Weyl point landscape and their influence on physical properties in $AM$Te$_4$ compounds.

Findings

Compounds host Weyl points within a few meV of the Fermi energy.

Most compounds contain multiple types of Weyl points, including NbRhTe$_4$ with type-I, II, and III.

The study clarifies the connection between electronic structure and quantum oscillations/magnetoresistance.

Abstract

Key aspects of the quantum oscillations and magnetoresistance in Weyl semimetals $AM$Te$_4$ ($A$=Nb,Ta, $M$=Rh, Ir) persist as open questions, obscuring the link between their topological electronic structure and practical implementations. Employing a generalised search procedure, we carry out a comprehensive scan of WPs accounting for all the subbands close to the Fermi energy, and show that this dramatically alters the WP landscape in these compounds. In particular, we predict these compounds to feature WPs within a few meV of the Fermi energy which significantly influence their properties. Remarkably, most of the considered compounds host WPs of more than one type, including NbRhTe$_4$ which hosts type-I, II and III Weyl points. Our comparative analysis of structure and fidelity of computational parameters/models not only provides a detailed mapping of the complex electronic structure in these compounds, but also clarifies quantum oscillations and magnetoresistance observations in this family, bridging the gap between theory and experiments and offering a framework for precise tunability of WPs.