Comment on 'Resonant inelastic x-ray scattering from UOand UN'.

J Phys Condens Matter

Department of Chemistry, University of California, Irvine, Irvine, CA, 92697, United States of America.

Published: September 2024


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

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.

Download full-text PDF

Source
http://dx.doi.org/10.1088/1361-648X/ad7ac1DOI Listing

Publication Analysis

Top Keywords

inelastic x-ray
8
x-ray scattering
8
comment 'resonant
4
'resonant inelastic
4
scattering uoand
4
uoand un'
4
un' manuscript
4
manuscript lawrence
4
lawrence bright2023175501
4
bright2023175501 reported
4

Similar Publications

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 PDF

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 PDF

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 PDF

Electronic Configurational Transformation of Network Modifiers in Aluminate Glass above Megabar Pressures.

J 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 PDF

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.

View Article and Find Full Text PDF