Topological phase transition and phonon-space Dirac topology surfaces in ZrTe${}_5$

Abstract

We use first-principles methods to reveal that in ZrTe${}_5$, a layered van der Waals material like graphite, atomic displacements corresponding to five of the six zone-center A${}_g$ (symmetry-preserving) phonon modes can drive a topological phase transition from strong to weak topological insulator with a Dirac semimetal state emerging at the transition, giving rise to a Dirac topology surface in the multi-dimensional space formed by the A${}_g$ phonon modes. This implies that the topological phase transition in ZrTe${}_5$ can be realized with many different settings of external stimuli that are capable of penetrating through the phonon-space Dirac surface without breaking the crystallographic symmetry. Furthermore, we predict that domains with effective mass of opposite signs can be created by laser pumping and will host Weyl modes of opposite chirality propagating along the domain boundaries. Studying phonon-space topology surfaces provides a new route to understanding and utilizing the exotic physical properties of ZrTe${}_5$ and related quantum materials.

arXiv comment5 pages, 4 figures

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• Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
• Ultrafast switching of topological invariants by light-driven strain
• Nonlinear bulk photocurrent probe Z2 topological phase transition
• Inducing Quantum Phase Transitions in Non-Topological Insulators Via Atomic Control of Sub-Structural Elements
• Robust large-gap topological insulator phase in transition-metal chalcogenide ZrTe${}_4$Se
• Optical manipulation of the topological phase in ZrTe5 revealed by time- and angle-resolved photoemission