Article Spin-orbit-entangled state of Ba2CaOsO6 studied by O K-edge resonant inelastic X-ray scattering and Raman spectroscopy

J. Okamoto ; G. Shibata ; Yu. S. Ponosov ; H. Hayashi SAMURAI ORCID (National Institute for Materials Science) ; K. Yamaura SAMURAI ORCID (National Institute for Materials Science) ; H. Y. Huang ; A. Singh ; C. T. Chen ; A. Tanaka ; S. V. Streltsov ; D. J. Huang ; A. Fujimori

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J. Okamoto, G. Shibata, Yu. S. Ponosov, H. Hayashi, K. Yamaura, H. Y. Huang, A. Singh, C. T. Chen, A. Tanaka, S. V. Streltsov, D. J. Huang, A. Fujimori. Spin-orbit-entangled state of Ba2CaOsO6 studied by O K-edge resonant inelastic X-ray scattering and Raman spectroscopy. npj Quantum Materials. 2025, 10 (1), 44. https://doi.org/10.1038/s41535-025-00757-4

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(abstract)

Transition-metal ions with 5d2 electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical properties. Through an investigation using resonant inelastic X-ray scattering (RIXS), Raman spectroscopy, and theoretical ligand-field (LF) multiplet and ab initio calculations, we fully characterized the local electronic structure of Ba2CaOsO6, particularly, the crystal-field symmetry of the 5d2 electrons in this anomalous material. The low energy multiplet excitations from RIXS at the oxygen K edge and Raman-active phonons both show no splitting. These findings are consistent with the ground state of Os ions dominated by magnetic octupoles. Obtained parameters pave the way for further realistic microscopic studies of this highly unusual class of materials, advancing our understanding of spin-orbit physics in systems with higher-order multipoles.

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Keyword: Ba2CaOsO6, RIXS

Date published: 2025-04-27

Publisher: Springer Science and Business Media LLC

Journal:

  • npj Quantum Materials (ISSN: 23974648) vol. 10 issue. 1 44

Funding:

  • Japan Society for the Promotion of Science JP20K14416
  • Japan Society for the Promotion of Science JP22K03535
  • Russian Science Foundation RSF 23-42-00069
  • National Science and Technology Council 103-2112-M-213-008-MY3
  • National Science and Technology Council,Taiwan 113-2112-M-007-033

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5454

First published URL: https://doi.org/10.1038/s41535-025-00757-4

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Updated at: 2025-04-30 12:30:15 +0900

Published on MDR: 2025-04-30 12:23:10 +0900

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