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DOE OSTI · 3025818

Constraints on magnetism and correlations in RuO 2 from lattice dynamics and Mössbauer spectroscopy

Yumnam, George [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000194627434)·Raghuvanshi, Parul R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Budai, John D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Bocklage, Lars [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging CUI (Germany)]·Abernathy, Douglas [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Cheng, Yongqiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Said, Ayman H. [Argonne National Laboratory (ANL), Argonne, IL (United States)]·Mazin, Igor I. [George Mason University, Fairfax, VA (United States)]·Zhou, Haidong [University of Tennessee, Knoxville, TN (United States)]·Frandsen, Benjamin A. [Brigham Young University, Provo, UT (United States)]·Parker, David S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Lindsay, Lucas R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Cooper, Valentino R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Manley, Michael E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]·Hermann, Raphaël P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]
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Abstract

We provide experimental evidence for the absence of a magnetic moment in bulk RuO 2 , a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering, we determine the Ru magnetic hyperfine splitting to be negligible. Inelastic X-ray and neutron scattering-derived lattice dynamics of RuO 2 are compared to density functional theory calculations of varying flavors. Comparisons among theory with experiments indicate that electronic correlations, rather than magnetic order, are key in describing the lattice dynamics.

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Mössbauer spectroscopyaltermagnetismdensity functional theoryinelastic X-ray scatteringinelastic neutron scatteringnuclear forward scattering

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Yumnam, George [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000194627434), Raghuvanshi, Parul R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Budai, John D. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Bocklage, Lars [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging CUI (Germany)], Abernathy, Douglas [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Cheng, Yongqiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Said, Ayman H. [Argonne National Laboratory (ANL), Argonne, IL (United States)], Mazin, Igor I. [George Mason University, Fairfax, VA (United States)], Zhou, Haidong [University of Tennessee, Knoxville, TN (United States)], Frandsen, Benjamin A. [Brigham Young University, Provo, UT (United States)], Parker, David S. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Lindsay, Lucas R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Cooper, Valentino R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Manley, Michael E. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)], Hermann, Raphaël P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]. 2025-09-15. Constraints on magnetism and correlations in RuO 2 from lattice dynamics and Mössbauer spectroscopy. https://doi.org/10.1016/j.xcrp.2025.102852

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Mössbauer spectroscopy↗