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We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al…

Materials Science · Physics 2024-01-26 M. Laura Urquiza , Matteo Gatti , Francesco Sottile

The recent discovery of spin-triplet superconductivity emerging from a non-magnetic parent state in UTe$_2$ has stimulated great interest in the underlying mechanism of Cooper pairing. Experimental characterization of short-range electronic…

We study resonant inelastic x-ray scattering (RIXS) peaks corresponding to low energy particle-hole excited states of metallic FeTe and semi-metallic TiSe$_2$ for photon incident energy tuned near the $L_{3}$ absorption edge of Fe and Ti…

Materials Science · Physics 2014-07-04 B. Barbiellini , J. N. Hancock , C. Monney , Y. Joly , G. Ghiringhelli , L. Braicovich , T. Schmitt

We study conditions for aberration-free imaging of inelastic x-ray scattering (IXS) spectra with x-ray echo spectrometers. Aberration-free imaging is essential for achieving instrumental functions with high resolution and high contrast.…

Instrumentation and Detectors · Physics 2019-05-29 Manuel Sánchez del Río , Yuri Shvyd'ko

X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…

Although orbital degrees of freedom are a factor of fundamental importance in strongly correlated transition metal compounds, orbital correlations and dynamics remain very difficult to access, in particular by neutron scattering. Via a…

Strongly Correlated Electrons · Physics 2015-03-20 Pasquale Marra , Krzysztof Wohlfeld , Jeroen van den Brink

We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…

Chemical Physics · Physics 2021-06-09 Phay J. Ho , Adam E. A. Fouda , Kai Li , Gilles Doumy , Linda Young

We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units.…

Atomic and Molecular Clusters · Physics 2017-08-24 Malik Muhammad Abdullah , Zoltan Jurek , Sang-Kil Son , Robin Santra

X-ray spectra of active galactic nuclei (AGN) consist of several different emission and absorption components, which are often fitted manually with models chosen on a case-by-case basis. However, it becomes very hard for a survey with a…

High Energy Astrophysical Phenomena · Physics 2022-11-23 Lingsong Ge , Stéphane Paltani , Dominique Eckert

Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site, and valence specific probe to study spatial modulations of charge, spin, and orbital degrees of freedom in solids on the nanoscopic length scale. It cannot only…

Materials Science · Physics 2013-04-12 J. Fink , E. Schierle , E. Weschke , J. Geck

X-ray near-field speckle-based phase-sensing approaches provide efficient means to characterise optical elements. Here, we present a theoretical review of several of these speckle methods in the frame of optical characterisation and provide…

Different types of spectroscopies, such as X-ray absorption near edge structure (XANES) and Raman spectroscopy, play a very important role in analyzing the characteristics of different materials. In scientific literature, XANES/Raman data…

Computer Vision and Pattern Recognition · Computer Science 2021-07-08 Weixin Jiang , Eric Schwenker , Trevor Spreadbury , Kai Li , Maria K. Y. Chan , Oliver Cossairt

Formula for calculating the atomic scattering factor for spherical x-ray waves is derived and used to solve the near field effects problem in X-ray Fluorescence Holography theory. A rigorous formalism to calculate the X-ray fluorescence…

Materials Science · Physics 2009-11-10 Jianming Bai

Interpretation of x-ray absorption near-edge structure (XANES) experiments is often done via analyzing the role of particular atoms in the formation of specific peaks in the calculated spectrum. Typically, this is achieved by calculating…

Condensed Matter · Physics 2009-11-07 Ondrej Sipr

The characterization of the electronic structure and chemical states of gases, solids, and liquids can be effectively performed using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). However, the acquisition of electronic and…

Chemical Physics · Physics 2025-03-17 Yang Gu , Zhehao Qiu , Shui Lin , Yong Han , Hui Zhang , Zhi Liu , Jun Cai

We present a theory of the resonant inelastic x-ray scattering (RIXS) to study electronic excitations in orbital ordered manganites. The charge and orbital excitations of the Mn 3d electron are caused by the Coulomb interactions in the…

Strongly Correlated Electrons · Physics 2009-10-31 H. Kondo , S. Ishihara , S. Maekawa

The equations for calculating diffraction profiles for bent crystals are revisited for both meridional and sagittal bending. Two approximated methods for computing diffraction profiles are treated: multilamellar and Penning-Polder. A common…

Materials Science · Physics 2015-03-13 Manuel Sanchez del Rio , Nicolas Perez-Bocanegra , Xianbo Shi , Veijo Honkimaki , Lin Zhang

Multi-object or integral field spectrographs are recognized techniques for achieving simultaneous spectroscopic observations of different or extended sky objects with a high multiplex factor. In this communication is described a…

Instrumentation and Detectors · Physics 2016-12-14 Francois Henault , Florence Laurent

Resonant inelastic x-ray scattering (RIXS) has become a powerful tool in the study of the electronic structure of condensed matter. Although the linewidths of many RIXS features are narrow, the experimental broadening can often hamper the…

Strongly Correlated Electrons · Physics 2012-02-13 J. Laverock , A. R. H. Preston , D. Newby , K. E. Smith , S. B. Dugdale

The X-ray variability of active galactic nuclei (AGN) carries crucial information about the X-ray radiation mechanism. We performed a systematic study of the X-ray short-term (1-100 ks timescale) variability for a large sample of 78…

High Energy Astrophysical Phenomena · Physics 2022-09-14 Jingwei Hu , Chichuan Jin , Huaqing Cheng , Weimin Yuan