Engineering a pure Dirac regime in ZrTe${}_5$

Abstract

Real-world topological semimetals typically exhibit Dirac and Weyl nodes that coexist with trivial Fermi pockets. This tends to mask the physics of the relativistic quasiparticles. Using the example of ZrTe5, we show that strain provides a powerful tool for in-situ tuning of the band structure such that all trivial pockets are pushed far away from the Fermi energy, but only for a certain range of Van der Waals gaps. Our results naturally reconcile contradicting reports on the presence or absence of additional pockets in ZrTe${}_5$, and provide a clear map of where to find a pure three-dimensional Dirac semimetallic phase in the structural parameter space of the material.

17 pages

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Cited by in corpus (3)

• Emergent properties and the multiscale characterization challenge in condensed matter, from crystals to complex materials: a Review
• Importance of the semimetallic state for the quantum Hall effect in HfTe${}_5$
• First-principles studies of fermiology in topological phases of bulk ZrTe${}_5$