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Optical conductivity and band gap in the double-Weyl candidate at ambient pressure
Phys. Rev. B 112, 155209 – Published 20 October, 2025
DOI: https://doi.org/10.1103/y1gj-67wz
Abstract
We probe the possible double-Weyl state in cubic using optical spectroscopy. The complex optical conductivity was measured in a frequency range from 70 to 22 000 at temperatures down to 10 K at ambient pressure. The optical response of can be well separated into the intraband (free carriers) and interband contributions. Additionally, four infrared-active phonons are detected. As follows from the optical spectra, the free-carrier density decreases with decreasing temperature, consistent with an activation behavior. Experimental interband conductivity juxtaposed with ab initio calculations shows that conventional density-functional theory fails to describe the electronic structure of in the vicinity of the Fermi level. A semilocal exchange-correlation potential allows a much better agreement with the experiment, resulting in the trivial (gapped) band structure of . The direct gap estimated from the measurements is approximately 40 meV.