Spin-orbit-entangled electronic structure of Ba$_2$CaOsO$_6$ studied by O $K$-edge resonant inelastic X-ray scattering

Fuente: arXiv
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Main Authors: Okamoto, J., Shibata, G., Posonov, Yu. S., Hayashi, H., Yamaura, K., Huang, H. Y., Singh, A., Chen, C. T., Tanaka, A., Streltsov, S. V., Huang, D. J., Fujimori, A.
Format: Preprint
Published: 2024
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author Okamoto, J.
Shibata, G.
Posonov, Yu. S.
Hayashi, H.
Yamaura, K.
Huang, H. Y.
Singh, A.
Chen, C. T.
Tanaka, A.
Streltsov, S. V.
Huang, D. J.
Fujimori, A.
author_facet Okamoto, J.
Shibata, G.
Posonov, Yu. S.
Hayashi, H.
Yamaura, K.
Huang, H. Y.
Singh, A.
Chen, C. T.
Tanaka, A.
Streltsov, S. V.
Huang, D. J.
Fujimori, A.
contents Transition-metal ions with $5d^2$ 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 spectroscopy (RIXS), Raman spectroscopy, and theoretical ligand-field (LF) multiplet and $ab initio$ calculations, we fully characterized the local electronic structure of Ba$_2$CaOsO$_6$, particularly, the crystal-field symmetry of the 5$d^2$ 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.
format Preprint
id arxiv_https___arxiv_org_abs_2412_12708
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Spin-orbit-entangled electronic structure of Ba$_2$CaOsO$_6$ studied by O $K$-edge resonant inelastic X-ray scattering
Okamoto, J.
Shibata, G.
Posonov, Yu. S.
Hayashi, H.
Yamaura, K.
Huang, H. Y.
Singh, A.
Chen, C. T.
Tanaka, A.
Streltsov, S. V.
Huang, D. J.
Fujimori, A.
Strongly Correlated Electrons
Transition-metal ions with $5d^2$ 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 spectroscopy (RIXS), Raman spectroscopy, and theoretical ligand-field (LF) multiplet and $ab initio$ calculations, we fully characterized the local electronic structure of Ba$_2$CaOsO$_6$, particularly, the crystal-field symmetry of the 5$d^2$ 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.
title Spin-orbit-entangled electronic structure of Ba$_2$CaOsO$_6$ studied by O $K$-edge resonant inelastic X-ray scattering
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2412.12708