ZrTe2 is an outstanding layered semimetal due to the topologically nontrivial electronic structure. In this work, we present an investigation of the electronic evolution of ZrTe2 in the presence of Fe intercalation, namely FexZrTe2 (x=0−0.25), scrutinized by both experimental measurements and \textit{ab} initio calculations. While the first reveals a superconducting state with a maximum critical temperature Tc=2.74 K (x= 0.03), the latter indicates that the topological features of the pristine ZrTe2 is sensitive to the distance between Te atoms and Zr layers. Also, the intercalation of Fe does not modify the non-trivial electronic band structure unlike the band crossings are now shifted slightly below EF. In particular, a van Hove singularity near the Fermi level for a Fe content of x=0.125 is observed in the density of states, indicating that the superconducting order may be associated with features of the unfolded band structure and the concomitant enhancement of the density of states at EF. Finally, our results reveal that the new compound with inclusion of Fe intercalation preserves the enforced semimetal classification.
@article{arxiv.2605.25898,
title = {Superconductivity and electronic structure evolution in the enforced semimetal Fe-doped ZrTe$_2$},
author = {L. M. Ishikura and C. F. Schuch and A. Faé Rabello and F. F. Nogueira and L. E. Corrêa and L. R. de Faria and J. Larrea Jiménez and L. T. F. Eleno and A. J. S. Machado},
journal= {arXiv preprint arXiv:2605.25898},
year = {2026}
}