Expansive Open Fermi Arcs and Connectivity Changes Induced by Infrared Phonons in ZrTe5

Abstract

Expansive open Fermi arcs covering most of the surface Brillouin zone (SBZ) are desirable for detection and control of many topological phenomena, but so far has been only reported for Kramers-Weyl points, or unconventional chiral fermions, pinned at time-reversal invariant momentum in chiral materials. Here using first-principles band structure calculations, we show that for conventional Weyl points in ZrTe5 with the chirality of +1/-1 near the BZ center at general momentum induced by one of the infrared phonons, the second lowest B1u mode for breaking inversion symmetry, they can also form expansive open Fermi arcs across the SBZ boundary to occupy most of the SBZ when projected on (001) surface. We reveal that such expansive open Fermi arcs are evolved from the topological surface states that connect multiple surface Dirac points on the (001) surface of the topological insulator phases without lattice distortion in ZrTe5. Furthermore, we find that the connectivity of the induced open Fermi arcs can be changed by the magnitude of the lattice distortion of this infrared phonon mode. Thus, we propose that using coherent optical phonon to modulate lattice parameters can offer ways to induce novel topological features including expansive open Fermi arcs and dynamically control Fermi arcs connectivity in ZrTe5.

23 pages, 7 figures

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• Robust and tunable Weyl phases by coherent infrared phonons in ZrTe${}_5$
• Unconventional Surface State Pairs in a High-Symmetry Lattice with Anti-ferromagnetic Band-folding
• Pressure Effect on Band Inversion in AECd2As2
• Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
• Robust large-gap topological insulator phase in transition-metal chalcogenide ZrTe${}_4$Se