Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>LaFeAsO</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mtext>F</mml:mtext><mml:mi>x</mml:mi></mml:msub></mml:mrow></mml:math>from x-ray absorption spectroscopy

Kröll, Thomas; Bonhommeau, Sébastien; Kachel, T.; Duerr, H.; Werner, J.; Behr, G.; Koitzsch, A.; Huebel, R.; Léger, Sébastien; Schoenfelder, R.; Ariffin, Ahmad Kamal; Manzke, R.; Groot, Frank M. F. de; Fink, J.; Eschrig, H.; Buechner, B.; Knupfer, M.

doi:10.1103/physrevb.78.220502

Cited by 67 publications

(51 citation statements)

References 25 publications

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“…18,19,20 Absorption and emission studies on the Fe L 2,3 edges also are in agreement with weak electronic correlations, and can be simply matched to the unoccupied d DOS determined from DFT calculations. However calculations pertinent to the XAS process, where core holes are created, and the emission process, where photons are emitted from the valence states in the presence of a core hole, have not been carried out.…”

supporting

confidence: 67%

Evidence for weak electronic correlations in iron pnictides

et al. 2009

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Using x-ray absorption and resonant inelastic x-ray scattering, charge dynamics at and near the Fe L edges is investigated in Fe pnictide materials, and contrasted to that measured in other Fe compounds. It is shown that the XAS and RIXS spectra for 122 and 1111 Fe pnictides are each qualitatively similar to Fe metal. Cluster diagonalization, multiplet, and density-functional calculations show that Coulomb correlations are much smaller than in the cuprates, highlighting the role of Fe metallicity and strong covalency in these materials. Best agreement with experiment is obtained using Hubbard parameters U 2eV and J ≈ 0.8eV.

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supporting

confidence: 67%

Evidence for weak electronic correlations in iron pnictides

et al. 2009

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“…These formal valences may change due to hybridization processes, especially at Fe and As [19]. The number of electrons in the 4f shell of the rare-earth ions depends on their atomic number.…”

Section: Rare-earth Absorption Spectramentioning

confidence: 99%

“…From a comparison of the O K edge spectra to local density approximation (LDA)-based bandstructure, it is concluded that the electronic structure is bandwidth dominated. Furthermore, simulations of the Fe L 2,3 edge spectra by charge transfer multiplet calculations reveal a multiplet-averaged value of U dd = 1.5 eV [19]. Different articles report on photoemission data.…”

mentioning

confidence: 99%

Absorption and photoemission spectroscopy of rare-earth oxypnictides

et al. 2009

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“…From the XAS and XES measurements supported by density of state (DOS) calculations, it was concluded that these systems exhibit weak to moderate electronic correlations. [10][11][12] While the substitution leads to electron doping in case of the LaO 1-x F x FeAs system, 13 how Se deficiency may bring in the mobile carriers in the FeSe x system leading to superconductivity is not clear. A detailed study of the FeSe x (x=1-0.8) crystals has been made using XAS Fe and Se K-edge spectra.…”

Section: Introductionmentioning

confidence: 99%

X-ray absorption spectroscopy investigation of the electronic structure of superconducting FeSe _x single crystals

Chen

Rao

Dong

et al. 2011

EPL

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X-ray absorption spectroscopy (XAS) Fe K-edge spectra of the FeSe x (x=1-0.8) single crystals cleaved in situ in vacuum reveal characteristic Fe 4sp states, a lattice distortion and the Se K-edge spectra point to a strong Fe 3d-Se 4p hybridization giving rise to itinerant charge carriers. A formal charge of ~1.8+ for Fe and ~2.2-for Se were evaluated from these spectra in the FeSe x (x=0.88). The charge balance between Fe and Se is assigned itinerant electrons located in the Fe-Se hybridization bond. As x decreases the 4p hole count increases and a crystal structure distortion is observed that in turn causes the Fe separation in the ab plane change from 4p orbital to varying (modulating) coordination. Powder x-ray diffraction (XRD) measurements also show a slight increase in lattice parameters as x decreases (increasing Se deficiency).

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Electronic structure ofLaFeAsO1−xFxfrom x-ray absorption spectroscopy

Cited by 67 publications

References 25 publications

Evidence for weak electronic correlations in iron pnictides

Evidence for weak electronic correlations in iron pnictides

Absorption and photoemission spectroscopy of rare-earth oxypnictides

X-ray absorption spectroscopy investigation of the electronic structure of superconducting FeSe _x single crystals

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Electronic structure ofLaFeAsO1−xFxfrom x-ray absorption spectroscopy

Cited by 67 publications

References 25 publications

Evidence for weak electronic correlations in iron pnictides

Evidence for weak electronic correlations in iron pnictides

Absorption and photoemission spectroscopy of rare-earth oxypnictides

X-ray absorption spectroscopy investigation of the electronic structure of superconducting FeSe x single crystals

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Product

Resources

About

X-ray absorption spectroscopy investigation of the electronic structure of superconducting FeSe _x single crystals