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Engineering a pure Dirac regime in ZrTe$_5$

by Jorge I. Facio, Elisabetta Nocerino, Ion Cosma Fulga, Rafal Wawrzynczak, Joanna Brown, Genda Gu, Qiang Li, Martin Mansson, Yasmine Sassa, Oleh Ivashko, Martin v. Zimmermann, Felix Mende, Johannes Gooth, Stanislaw Galeski, Jeroen van den Brink, Tobias Meng

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Submission summary

Authors (as registered SciPost users): Ion Cosma Fulga · Tobias Meng
Submission information
Preprint Link: https://arxiv.org/abs/2206.13957v3  (pdf)
Code repository: https://doi.org/10.5281/zenodo.7395945
Date accepted: 2023-01-09
Date submitted: 2022-12-06 09:33
Submitted by: Meng, Tobias
Submitted to: SciPost Physics
Ontological classification
Academic field: Physics
Specialties:
  • Condensed Matter Physics - Experiment
  • Condensed Matter Physics - Computational
Approaches: Theoretical, Experimental

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.

Author comments upon resubmission

Dear editor, dear referees,

we thank all referees for their careful work. We are delighted that two out of three referees have recommended publication in SciPost Physics as is. The third referee has a final request, namely that we provide additional details on our numerical implementations (especially convergence parameters/cutoff values). In response, we have

(i) specified in the main text that we use the standard basis set implemented in FPLO,
(ii) provided exemplary input files in an online repository https://doi.org/10.5281/zenodo.7395945, now cited as reference 67.

We are confident that this will provide all input needed for colleagues to reproduce our results, and hope the the paper can now be published in its present form. We would like to seize the opportunity to again thank all the referees for their valuable input, which we feel was very helpful in improving the paper.

On behalf of the authors,
Tobias Meng

List of changes

(i) specified in the main text that we use the standard basis set implemented in FPLO,
(ii) provided exemplary input files in an online repository https://doi.org/10.5281/zenodo.7395945, now cited as reference 67.

Both changes can be found on p. 4 in the first paragraph of Sec. 3.

Published as SciPost Phys. 14, 066 (2023)

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