Electronic band structure reconstruction in Ni$_{x}$ZrTe$_{2}$

Read full text
Authors: Pedro H. A. Moya, Marli R. Cantarino, L. E. Corrêa, Leandro R. de Faria, Rodrigo Mario Calle Huamani, Wendell S. Silva, Claude Monney, Antonio Jefferson da Silva Machado, F. A. Garcia
Cited by: 0

Abstract

The filling of the large van der Waals gap in Transition Metal Dichalcogenides (TMDs) often leads to lattice and electronic instabilities, which prelude the onset of a rich phenomenology. Here, we investigate the electronic structure of the TMDs ZrTe$_2$ and Ni-intercalated ZrTe$_2$ (Ni$_x$ZrTe$_2$, $x\approx 0.05$) employing angle-resolved photoemission spectroscopy (ARPES). We readily identify in Ni$_x$ZrTe$_2$ two flat bands, most likely associated with localized Ni-derived 3$d$-states, at about $\approx-0.7$ eV and $\approx-1.2$ eV in binding energy. The presence of these flat bands is observed for all temperatures ($T$) in our study. More significantly, at low-$T$, we identify an electronic structure reconstruction in Ni$_x$ZrTe$_2$, which halves the electronic periodicity along the $k_{z}$ direction. This is reminiscent of a commensurate band folding with wave-vector $q=(0,0,π)$. Together with previous results from macroscopic measurements, namely heat capacity and resistivity, our findings suggest that Ni intercalation drives a structural instability at $T^{*}=287$ K, which causes the observed electronic band reconstruction. Our findings invite further investigation into the structural properties of ZrTe$_2$ and of the intercalated and defect-engineered versions of this material.

Fields of Study & Subjects

2D Materials and Applications Topological Materials and Phenomena Organic and Molecular Conductors Research

Publication details

Journal / source
arXiv (Cornell University)
Publication date
6 January 2026
Document type
Preprint