Spin and orbital magnetic moments of UTe2 induced by the external magnetic field

Correlated band theory implemented as a combination of the relativistic density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion U in the 5 f shell is applied to the magnetic field polarized state of . We demonstrate that the DFT+U(ED) app...

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Bibliographic Details
Published in:Scientific reports 2024-10, Vol.14 (1), p.25337-9, Article 25337
Main Authors: Shick, Alexander B., Wdowik, Urszula D., Halevy, Itzhak, Legut, Dominik
Format: Article
Language:English
Subjects:
639/766
639/766/119
639/766/119/997
Agreements
Circular dichroism
Electrons
Humanities and Social Sciences
Magnetic fields
multidisciplinary
Science
Science (multidisciplinary)
Superconductivity
Uranium
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Summary:Correlated band theory implemented as a combination of the relativistic density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion U in the 5 f shell is applied to the magnetic field polarized state of . We demonstrate that the DFT+U(ED) approach provides a good agreement with very recent x-ray absorbtion near edge structure (XANES) and x-ray magnetic circular dichroism (XMCD) experiments. The branching ratio for the edge transitions of uranium, and the valence spin-orbit interaction per hole were evaluated in a perfect agreement with the XANES. The orbital-to-spin moment ratio is calculated with DFT+U(ED) within the range of values extracted from XMCD data. The uranium atom 5 f -shell ground state with 33 of and 58 of configurations is determined. Both XMCD and DFT+U(ED) point out the intermediate valence of uranium as well as itinerant-localized dichotomy in .
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-75321-4