Sound velocities of and under shock compression to 10 GPa and implications for elastic softening in
Phys. Rev. B 113, 214108 – Published 15 June, 2026
DOI: https://doi.org/10.1103/7z24-flgn
Abstract
Understanding how oxysalt frameworks respond to compression is essential for constraining the lattice-dynamical mechanisms that govern pressure-induced structural transitions. However, intrinsic lattice instabilities are often obscured during static compression by broad mixed-phase regions. Here we measured longitudinal sound velocities () of barite () and celestite () under shock compression up to ∼10 GPa, and performed first-principles stress-strain calculations for . Our results show that the of celestite varies smoothly with pressure over the investigated range, whereas barite exhibits a ∼6% decrease in between ∼5.2 and ∼7.0 GPa. This anomaly is consistent with the phase transition in but occurs at substantially lower pressure and within a narrower pressure interval than under static compression. First-principles calculations show that the Pnma lattice becomes unstable at shear stresses of ∼1.7–3.5 GPa, close to the estimated shock-induced deviatoric stresses, and that the instability involves cooperative tilting of tetrahedra and distortion of Ba–O polyhedra. These results suggest that high strain-rate shock loading couples transient deviatoric stresses to lattice instabilities, enabling access to the transition prior to equilibrium relaxation. The observed softening provides experimental support for an underlying lattice instability associated with the transition. Our results highlight that sound-velocity measurements under shock compression can provide a sensitive probe of incipient lattice instability in frameworks and illustrate how strain-rate-assisted shear instabilities reshape phase-transition pathways in complex oxysalts.