Robust and tunable Weyl phases by coherent infrared phonons in ZrTe5

Journal Article · 16 May 2022 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-022-00800-z · OSTI ID:1868098

Aryal, Niraj ; Jin, Xilian; Li, Qiang; Liu, Mengkun ; Tsvelik, A. M.; Yin, Weiguo

Abstract Ultrafast control of structural and electronic properties of various quantum materials has recently sparked great interest. In particular, photoinduced switching between distinct topological phases has been considered a promising route to realize quantum computers. Here we use first-principles and effective Hamiltonian methods to show that in ZrTe ₅ , lattice distortions corresponding to all three types of zone-center infrared optical phonon modes can drive the system from a topological insulator to a Weyl semimetal. Thus achieved Weyl phases are robust, highly tunable, and one of the cleanest due to the proximity of the Weyl points to the Fermi level and a lack of other carriers. We also find that Berry curvature dipole moment, induced by the dynamical inversion symmetry breaking, gives rise to various nonlinear effects that oscillate with the amplitude of the phonon modes. These nonlinear effects present an ultrafast switch for controlling the Weyltronics-enabled quantum system.

• Research Organization: Brookhaven National Laboratory (BNL), Upton, NY (United States)
• Sponsoring Organization: China Scholarship Council; National Natural Science Foundation of China; National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
• Grant/Contract Number: SC0012704
• OSTI ID: 1868098
• Report Number(s): BNL-222974-2022-JAAM; 113; PII: 800
• Journal Information: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 8; ISSN 2057-3960
• Publisher: Nature Publishing GroupCopyright Statement
• Country of Publication: United Kingdom
• Language: English