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    Quasiparticle dynamics in the 4d−4f Ising-like double perovskite Ba2DyRuO6 studied using neutron scattering and machine-learning framework

    G. Roy1,*, E. Kushwaha1, M. Kumar1, S. Ghosh1, F. Orlandi2, M. D. Le2, M. B. Stone3, J. Sannigrahi4, D. T. Adroja2,5 et al.

    T. Basu1,†

    • *Contact author: gourabr22bs@rgipt.ac.in
    • †Contact author: tathamay.basu@rgipt.ac.in

    Phys. Rev. B 113, 174416 – Published 15 May, 2026

    DOI: https://doi.org/10.1103/dp93-x1nc

    Abstract

    Double perovskites containing 4d−4f interactions provide a platform to study complex magnetic phenomena in correlated systems. Here, we investigate the magnetic ground state and quasiparticle excitations of the fascinating double perovskite system Ba2DyRuO6 through Time of flight (TOF) neutron diffraction, inelastic neutron scattering (INS), and theoretical modeling. The compound Ba2DyRuO6 is reported to exhibit a single magnetic transition, in sharp contrast with most of the other rare-earth (R) members in this family, A2RRuO6 (A = Ca, Sr, Ba), which typically show magnetic ordering of the Ru ions, followed by R-ion ordering. Our neutron-diffraction results confirm that long-range antiferromagnetic order emerges at TN≈47K, primarily driven by 4d−4f Ru5+−Dy3+ exchange interactions, where both Dy and Ru moments contribute to the ordered state. The ordered ground state is a collinear antiferromagnet with Ising character, carrying ordered moments of μRu=1.6(1)µB and μDy=5.1(1)µB at 1.5 K. Low-temperature INS reveals well-defined magnon excitations below 10 meV. SpinW modeling of the INS spectra evinces complex exchange interactions and the presence of magnetic anisotropy, which governs the Ising ground state and accounts for the observed magnon spectrum. Combined INS and Raman spectroscopy reveal crystal-electric-field (CEF) excitations of Dy3+ at 46.5 and 71.8 meV in the paramagnetic region. The observed CEF levels are modeled through point-charge CEF calculations, consistent with the Oh site symmetry of Dy3+. A complementary machine-learning approach is used to calculate and analyze the phonon spectrum, enabling a direct comparison with the INS data. These combined experimental and theoretical results provide a comprehensive understanding of the origin of phonon and magnon quasiparticle excitations and their influence on the crystal structure and ground-state magnetism of Ba2DyRuO6.

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