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We have examined polycrystalline MgB2 by electron energy loss spectroscopy (EELS) and density of state calculations. In particular, we have studied two different crystal orientations, [110] and [001] with respect to the incident electron…

Although electron energy loss near edge structure analysis provides a tool for experimentally probing unoccupied density of states, a detailed comparison with simulations is necessary in order to understand the origin of individual peaks.…

This work reports theoretical and experimental study of the X-ray absorption near-edge structure (XANES) at the Mn K-edge in (Ga,Mn)As diluted magnetic semiconductors. The spectra have been calculated from the first-principles using FLAPW…

Materials Science · Physics 2010-03-24 N. A. Goncharuk , L. Smrcka , J. Kucera , K. Olejnik , V. Novak , Z. Matej , L. Nichtova , V. Holy

The transition metal K-edge x-ray absorption near edge structure (XANES) studies have been carried on LaBO3 (B=Mn, Fe, Co, Ni), La2CuO4 and SrMnO3 compounds. The theoretical spectra have been calculated using transition metal (TM) 4p…

Strongly Correlated Electrons · Physics 2007-05-23 S. K. Pandey , S. Khalid , A. V. Pimpale

We present results for realistic modeling of the x-ray absorption near edge structure (XANES) of the overdoped high-T_c superconductor La_2-xSr_xCuO_4 in the hole doping range x = 0.20-0.30. Our computations are based on a real-space…

Strongly Correlated Electrons · Physics 2015-05-27 Towfiq Ahmed , Tanmoy Das , J. J. Kas , Hsin Lin , B. Barbiellini , Fernando D. Vila , R. S. Markiewicz , A. Bansil , J. J. Rehr

Single-particle methods based on Kohn-Sham unoccupied states to describe near-edge X-ray absorption (XAS) spectra are routinely applied for the description of K-edge spectra, as there is no complication due to spin-orbit (SO) coupling. L-…

Materials Science · Physics 2026-02-26 Esther A. B. Johnsen , Naoki Horiuchi , Toma Susi , Michael Walter

Polarized x-ray absorption near edge structure (XANES) spectra at both the Cu and the Ge K-edges of CuGeO3 are measured and calculated relying on the real-space multiple-scattering formalism within a one-electron approach. The polarization…

Condensed Matter · Physics 2009-11-07 Ondrej Sipr , Antonin Simunek , Sergey Bocharov , Gunther Drager

The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS) is a widely used tool for studying electronic and local structure in materials. The precise interpretation of these spectra with the help of calculations is hence…

Fine structure analysis of core electron excitation spectra is a cornerstone characterization technique across the physical sciences. Spectra are most commonly measured with synchrotron radiation and X-ray spot sizes on the {\mu}m to mm…

The presence of electron energy loss (EELS) peak is proposed theoretically in molybdenum disulfide (MoS2) nanosheets. Using density functional theory simulations and calculations, one EELS peak is identified in the visible energy range, for…

Angle-resolved photoemission spectroscopy (ARPES) reveals effects of electron doping, which is realized by Co and Ni substitution for Fe in FeTe$_{1-y}$Se$_{y}$ (y$\sim$0.35) superconductor. The data show consistent band shifts as well as…

Superconductivity · Physics 2019-10-29 M. Rosmus , R. Kurleto , D. J. Gawryluk , J. Goraus , M. Z. Cieplak , P. Starowicz

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

Results of resonant inelastic X-ray scattering (RIXS) measurements at Fe L-edges and electronic structure calculations of LiFeAs and NaFeAs are presented. Both experiment and theory show that in the vicinity of the Fermi energy, the density…

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character…

We have investigated the electronic structures of newly discovered superconductor FeSe1-x by bulk-sensitive photoemission spectroscopy (PES). The large Fe 3d spectral weight is located in the vicinity of the Fermi level (EF) and it…

Superconductivity · Physics 2010-11-10 A. Yamasaki , S. Imada , K. Takase , T. Muro , Y. Kato , H. Kobori , A. Sugimura , N. Umeyama , H. Sato , Y. Hara , N. Miyakawa , S. I. Ikeda

The recent observation of replica bands in single-layer FeSe/SrTiO$_3$ by angle-resolved photoemission spectroscopy (ARPES) has triggered intense discussions concerning the potential influence of the FeSe electrons coupling with substrate…

Materials Science · Physics 2018-06-13 Fengmiao Li , George A. Sawatzky

In previous work a different and powerful, analytical, technique was used to get data, such as the absolute atom concentration (AAC), specimen thickness etc., from public domain boron nitride EELS spectrum collected under a collection…

Materials Science · Physics 2020-09-24 Noureddine Hadji

We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both resonant and non-resonant inelastic x-ray scattering…

Computational Physics · Physics 2016-01-29 K. Gilmore , John Vinson , E. L. Shirley , D. Prendergast , C. D. Pemmaraju , J. J. Kas , F. D. Vila , J. J. Rehr

Two-dimensional iron-chalcogenide intercalates display a remarkable correlation of the interlayer spacing with the enhancement of the superconducting critical temperature ($T_c$). In this work, synchrotron x-ray absorption ($XAS$, at Fe and…

Electron energy-loss spectroscopy (EELS) performed in transmission electron microscopes is shown to directly render the photonic local density of states (LDOS) with unprecedented spatial resolution, currently below the nanometer. Two…

Materials Science · Physics 2012-11-13 F. J. Garcia de Abajo , M. Kociak