Charge dynamics in the Weyl semimetals NbIrTe$_4$ and TaIrTe$_4$ under pressure: Signatures of an electronic phase transition

Abstract

A high-pressure investigation of the Weyl semimetals NbIrTe$_4$ and TaIrTe$_4$ is presented, using infrared spectroscopy supplemented by density functional theory calculations. The experimental optical conductivity spectra as a function of pressure suggest the occurrence of a pressure-induced phase transition at a critical pressure $P_\text{c}=7\text{--}8$ GPa. This transition is most likely electronic in nature, as Raman scattering measurements provide no evidence of a significant structural phase transition. Above $P_\text{c}$ a significant redistribution of spectral weight occurs in the optical conductivity spectrum for both materials. A Drude-Lorentz analysis of the optical data indicates a sharp reduction in the free carrier concentration at $P_\text{c}$, concomitant with the appearance of a low-energy phonon, which was initially screened by free charge carriers. A predominantly electronic origin of the phase transition is supported by the calculated electronic band structure, Fermi surface, and interband optical conductivity as a function of pressure. Our findings provide collective evidence for a pressure-induced, most likely electronic phase transition in both van der Waals materials at $P_\text{c}=7\text{--}8$ GPa, highlighting the tunability of their electronic band structure by hydrostatic pressure.