Low-temperature charge-density-wave transition in ordered intermetallic
Phys. Rev. Materials 10, 045401 – Published 7 April, 2026
DOI: https://doi.org/10.1103/mrqn-qy9z
Abstract
Intermetallic nuclear fuel materials, in particular the uranium alloyed with Zr, Mo, Nb, Ti, offer superior swelling, fabrication, and fuel-cladding chemical reaction properties, among others. However, similar to pure -uranium, the alloyed uranium compositions exhibit susceptibility to a charge-density-wave (CDW) instability at low temperatures, which has rarely been investigated in detail. Here, we unequivocally experimentally identify CDW instability in using diffraction and heat capacity measurements on hitherto unreported single-phase . We find that undergoes phase transformation from ordered intermetallic tetragonal () phase to monoclinic symmetry () below , which remains stable at least up to 10 K. Ab initio molecular dynamics simulations confirm the CDW instability, and the CDW phase is determined. A detailed analysis of electronic structures and the real and imaginary parts of electronic susceptibility suggests the role of Fermi-surface nesting and hidden nesting leading to phonon instabilities that induce the CDW distortion. Our results emphasize the need for careful investigation of low-temperature CDW instability in other single-phase intermetallic nuclear fuels.