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In a recent manuscript, Lawrence Bright(2023175501) reported the resonant inelastic x-ray scattering spectra of UO, as well as UN. Their goal was to identify electronic multiplets associated with a 5configuration with ground state2F5/2. Complete active space self-consistent field with spin-orbit coupling (CASSCF-SOC) predicted that2F5/2transitions should be observable at 190 and 328 meV. However, these energies were not accessible in their experiment. They suggested that the recent inelastic neutron scattering results of Miskowiec(2021B205101) could have been sensitive to these transitions. Here we show that transitions of this possible origin appear in that dataset near 198, 262, 362, and potentially 448 meV.
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http://dx.doi.org/10.1088/1361-648X/ad7ac1 | DOI Listing |
Phys Rev Lett
August 2025
University of Augsburg, Experimental Physics VI, Center for Electronic Correlations and Magnetism, 86159 Augsburg, Germany.
Magnon-phonon hybridization in ordered materials is a crucial phenomenon with significant implications for spintronics, magnonics, and quantum materials research. We present direct experimental evidence and theoretical insights into magnon-phonon coupling in Mn_{3}Ge, a kagome antiferromagnet with noncollinear spin order. Using inelastic x-ray scattering and ab initio modeling, we uncover strong hybridization between planar spin fluctuations and transverse optical phonons, resulting in a large hybridization gap of ∼2 meV.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry, The University of Memphis, Memphis, Tennessee 38152, USA.
Spectroscopic techniques based on core-level excitations offer powerful tools for probing molecular and electronic structures with high spatial resolution. However, accurately calculating spectral features at the L or M edges is challenging due to the significant influence of spin-orbit and multiplet effects. While scalar-relativistic effects can be incorporated with minimal computational cost, accounting for spin-orbit interactions requires complex frameworks that can be computationally expensive.
View Article and Find Full Text PDFUltramicroscopy
August 2025
Univ. Grenoble Alpes, CEA, LETI 38000 Grenoble, France.
Recent advancements in high-resolution spectroscopy analyses within the scanning transmission electron microscope (STEM) have paved the way for measuring the concentration of chemical species in crystalline materials at the atomic scale. However, several artifacts complicate the direct interpretation of experimental data. For instance, in the case of energy-dispersive X-ray (EDX) spectroscopy, the linear dependency of local X-ray emission on composition is disrupted by channeling effects and cross-talk during electron beam propagation.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Laboratory of Physics and Chemistry of Earth Materials, School of Earth and Environmental Sciences, Seoul National University, Seoul 08826, Korea.
Electronic responses of glasses under extreme pressures differ from those of crystalline analogs. Their distinct electronic environments are found in network formers with well-defined, covalent-bonded coordination environments (e.g.
View Article and Find Full Text PDFIUCrJ
September 2025
School of Physics, University of Melbourne, Melbourne, Victoria, Australia.
The discovery of the novel n = 2 satellite transition in the Kβ emission spectrum of manganese and its evolution with incident photon energy are presented. Using the XR-HERFD (extended-range high-energy-resolution fluorescence detection) technique, we conclusively demonstrate the existence of this phenomenon with a statistical significance corresponding to 652 σ across the measured spectrum, far above the discovery threshold of 3-6 σ. We apply principal component analysis (PCA) to the XR-HERFD data to extract advanced structural insights.
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