Charge dynamics in the Weyl semimetals and under pressure: Signatures of an electronic phase transition
Phys. Rev. B 114, 065101 – Published 6 July, 2026
DOI: https://doi.org/10.1103/pvhn-prsw
Abstract
A high-pressure investigation of the Weyl semimetals and 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 . This transition is most likely electronic in nature, as Raman scattering measurements provide no evidence of a significant structural phase transition. Above 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 , 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 , highlighting the tunability of their electronic band structure by hydrostatic pressure.