Article Inelastic neutron scattering studies on the eight-spin zigzag-chain compound KCu 4 P 3 O 12 : Confirmation of the validity of a data-driven technique based on machine learning

Masashi Hase SAMURAI ORCID (National Institute for Materials Science) ; Ryo Tamura SAMURAI ORCID (National Institute for Materials Science) ; Koji Hukushima ; Shinichiro Asai ; Takatsugu Masuda ; Shinichi Itoh ; Andreas Dönni SAMURAI ORCID (National Institute for Materials Science)

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Masashi Hase, Ryo Tamura, Koji Hukushima, Shinichiro Asai, Takatsugu Masuda, Shinichi Itoh, Andreas Dönni. Inelastic neutron scattering studies on the eight-spin zigzag-chain compound KCu 4 P 3 O 12 : Confirmation of the validity of a data-driven technique based on machine learning. Physical Review B. 2024, (), 094434. https://doi.org/10.1103/physrevb.109.094434
SAMURAI

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(abstract)

We performed inelastic neutron scattering (INS) experiments on KCu4P3O12 powder and compared the experimental results with those calculated for the spin model (an eight-spin zigzag chain with S = 1/2 ) using the data-driven technique based on machine learning. We observed magnetic excitations at approximately 3.0, 4.1, 5.9, and 8.8 meV at 5.5 K and at approximately 3.8 and 5.9 meV at 49 K. The excitations corresponding to 3.0, 4.1, and 8.8 meV were magnetic excitations from the ground state to the first, second, and fourth excited states (2.87, 4.23, and 8.53 meV from the calculations), respectively. The excitations corresponding to 3.8 and 5.9 meV were magnetic excitations from the first excited state to the third and fourth excited states (3.78 and 5.67 meV from the calculations), respectively. An excitation was likely to exist between the first and second excited states at approximately 1.35 meV in the experimental results. The excitation energies obtained from the INS experiments were almost consistent with those calculated from the exchange interaction values via the data-driven technique. This consistency indicates that the data-driven technique is a powerful tool for evaluating multiple exchange interactions.

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Keyword: Inelastic neutron scattering, eight-spin zigzag-chain compound KCu4P3O12, data-driven technique based on machine learning

Date published: 2024-03-25

Publisher: American Physical Society (APS)

Journal:

  • Physical Review B (ISSN: 1550235X) 094434

Funding:

  • Japan Society for the Promotion of Science 18K03551

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1103/physrevb.109.094434

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Updated at: 2024-04-18 16:30:18 +0900

Published on MDR: 2024-04-18 16:30:19 +0900

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