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    Sound velocities of BaSO4 and SrSO4 under shock compression to 10 GPa and implications for elastic softening in BaSO4

    Kaile Tang1, Xilong Dou2, Bo Gan1,3,4,*, Feng Gao5, Qing He1, Wenhao Song1, and Youjun Zhang1,3,4

    • 1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
    • 2School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, China
    • 3State Key Laboratory of Intelligent Construction and Healthy Operation and Maintenance of Deep Underground Engineering, Sichuan University, Chengdu 610065, China
    • 4Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu, 610065, China
    • 5School of Information and Electrical Engineering, Academy of Edge Intelligence, Hangzhou City University, Hangzhou 310015, China

    • *Contact author: ganbo@scu.edu.cn

    Phys. Rev. B 113, 214108 – Published 15 June, 2026

    DOI: https://doi.org/10.1103/7z24-flgn

    Abstract

    Understanding how ABO4 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 (VP) of barite (BaSO4) and celestite (SrSO4) under shock compression up to ∼10 GPa, and performed first-principles stress-strain calculations for BaSO4. Our results show that the VP of celestite varies smoothly with pressure over the investigated range, whereas barite exhibits a ∼6% decrease in VP between ∼5.2 and ∼7.0 GPa. This anomaly is consistent with the Pnma→P212121 phase transition in BaSO4 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 SO4 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 VP 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 ABO4 frameworks and illustrate how strain-rate-assisted shear instabilities reshape phase-transition pathways in complex oxysalts.

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