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 5f shell is applied to the magnetic field polarized state of [Formula: see text]. 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 [Formula: see text] 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 5f-shell ground state with 33 % of [Formula: see text] and 58 % of [Formula: see text] configurations is determined. Both XMCD and DFT+U(ED) point out the intermediate valence of uranium as well as itinerant-localized dichotomy in [Formula: see text].

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Publication Details

Journal
Scientific Reports
Published
2024-10-25
DOI
https://doi.org/10.1038/s41598-024-75321-4
Primary Topic
Rare-earth and actinide compounds
Type
article
Field-Weighted Citation Impact
0.00

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article

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

U. D. Wdowik, A. B. Shick, I. Halevy, Dominik Legut
Scientific Reports
Rare-earth and actinide compounds
article

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

U. D. Wdowik, A. B. Shick, I. Halevy, Dominik Legut
article en

Abstract

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 5f shell is applied to the magnetic field polarized state of [Formula: see text]. 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 [Formula: see text] 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 5f-shell ground state with 33 % of [Formula: see text] and 58 % of [Formula: see text] configurations is determined. Both XMCD and DFT+U(ED) point out the intermediate valence of uranium as well as itinerant-localized dichotomy in [Formula: see text].

Scientific ReportsVol. 14(1)
Ben-Gurion University of the Negev (IL), VSB - Technical University of Ostrava (CZ), Czech Academy of Sciences (CZ), FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ), Institute of Physics of the Slovak Academy of Sciences (SK), Weizmann Institute of Science (IL)
European Commission, Ministerstvo Školství, Mládeže a Tělovýchovy, Grantová Agentura České Republiky
Openalex Percentile: Top 89%
Rare-earth and actinide compounds
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