Transition between strong and weak topological insulator in ZrTe${}_5$ and HfTe${}_5$

Abstract

ZrTe${}_5$ and HfTe${}_5$ have attracted increasingly attention recently since the theoretical prediction of being topological insulators (TIs). However, subsequent works show many contradictions about their topological nature.Three possible phases, i.e. strong TI, weak TI, and Dirac semi-metal, have been observed in different experiments until now. Essentially whether ZrTe${}_5$ or HfTe${}_5$ has a band gap or not is still a question. Here, we present detailed first-principles calculations on the electronic and topological properties of ZrTe${}_5$ and HfTe${}_5$ on variant volumes and clearly demonstrate the topological phase transition from a strong TI, going through an intermediate Dirac semi-metal phase, then to a weak TI when the crystal expands.Our work might give a unified explain about the divergent experimental results and propose the crucial clue to further experiments to elucidate the topological nature of these materials.

arXiv comment6 pages, 4 figures

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• Giant Planar Hall Effect in the Dirac Semimetal ZrTe5
• Theory for the Charge-Density-Wave Mechanism of 3D Quantum Hall Effect
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• Discovery of Log-Periodic Oscillations in Ultra-Quantum Topological Materials
• Two-dimensional conical dispersion in ZrTe5 evidenced by optical spectroscopy
• Approaching Three-Dimensional Quantum Hall effect in Bulk HfTe5
• Unraveling the Topological Phase of ZrTe${}_5$ via Magneto-infrared Spectroscopy
• Disruption of the accidental Dirac semimetal state in ZrTe${}_5$ under hydrostatic pressure
• Landau level spectroscopy of massive Dirac fermions in single-crystalline ZrTe5 thin flakes
• Unraveling the topology of ZrTe${}_5$ by changing temperature
• Electron Transport in Dirac and Weyl Semimetals
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• Transport measurements on van der Waals heterostructures under pressure
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• Possible Experimental Realization of a Basic Z2 Topological Semimetal
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• Anomalous Hall effect at the Lifshitz transition in ZrTe5
• Distinguishing the gapped and Weyl semimetal scenario in ZrTe${}_5$: insights from an effective two-band model
• Temperature dependence of the energy band gap in ZrTe${}_5$: implications for the topological phase
• Gap-opening transition in Dirac semimetal ZrTe${}_5$
• Topological nodal line in ZrTe${}_2$ demonstrated by nuclear magnetic resonance
• Band Structure Driven Thermoelectric Response of Topological Semiconductor ZrTe${}_5$
• Expansive Open Fermi Arcs and Connectivity Changes Induced by Infrared Phonons in ZrTe5
• Cataloging topological phases of $N$-stacked Su-Schrieffer-Heeger chains by a systematic breaking of symmetries
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• Magnetic-field-induced nonlinear transport in HfTe5
• Revealing the band structure of ZrTe${}_5$ using Multicarrier Transport
• Pressure Effect on Band Inversion in AECd2As2
• Signature of pressure-induced topological phase transition in ZrTe${}_5$
• Tunable discrete scale invariance in transition-metal pentatelluride flakes
• Engineering a pure Dirac regime in ZrTe${}_5$
• Quantum spin Hall effect in two-dimensional transition-metal chalcogenides
• Turning ZrTe5 into semiconductor through atomic intercalation
• Discrete scale invariance of the quasi-bound states at atomic vacancies in a topological material
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• Importance of the semimetallic state for the quantum Hall effect in HfTe${}_5$
• Nonlinear bulk photocurrent probe Z2 topological phase transition
• Layer dependent topological phases and transitions in TaRhTe${}_4$: From monolayer and bilayer to bulk
• Te Vacancy-Driven Anomalous Transport in ZrTe${}_5$ and HfTe${}_5$
• Observation of Dirac Charge Density Waves in Bi${}_2$Te${}_2$Se
• Characterization of the 2D Su-Schrieffer-Heeger Model with Second-Nearest-Neighbor Interactions
• Thermal transport properties and some hydrodynamic-like behavior in 3D topological semimetal ZrTe5
• Magneto-transport evidence for strong topological insulator phase in ZrTe5
• Effect of pressure on the transport properties and thermoelectric performance of Dirac semimetal ZrTe5
• Non-unique connection between bulk topological invariants and surface physics
• Pressure induced electronic band evolution and observation of superconductivity in the Dirac semimetal ZrTe5
• Robust large-gap topological insulator phase in transition-metal chalcogenide ZrTe${}_4$Se
• First-principles studies of fermiology in topological phases of bulk ZrTe${}_5$