Evidence for a Strong Topological Insulator Phase in $\mathrm{ZrT}{\mathrm{e}}_5$

Abstract

The complex electronic properties of $\mathrm{ZrT}{\mathrm{e}}_5$ have recently stimulated in-depth investigations that assigned this material to either a topological insulator or a 3D Dirac semimetal phase. Here we report a comprehensive experimental and theoretical study of both electronic and structural properties of $\mathrm{ZrT}{\mathrm{e}}_5$, revealing that the bulk material is a strong topological insulator (STI). By means of angle-resolved photoelectron spectroscopy, we identify at the top of the valence band both a surface and a bulk state. The dispersion of these bands is well captured by ab initio calculations for the STI case, for the specific interlayer distance measured in our x-ray diffraction study. Furthermore, these findings are supported by scanning tunneling spectroscopy revealing the metallic character of the sample surface, thus confirming the strong topological nature of $\mathrm{ZrT}{\mathrm{e}}_5$.

5 pages, 4 figures

References in corpus (1)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

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