Probing the Graphite Band Structure with Resonant Soft-X-Ray Fluorescence

Carlisle, John A.; Shirley, Eric L.; Hudson, Eric A.; Terminello, Louis J.; Callcott, T. A.; Jia, Jianjun; Ederer, D. L.; Perera, R. C. C.; Himpsel, F. J.

doi:10.1103/physrevlett.74.1234

Cited by 175 publications

(109 citation statements)

References 14 publications

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“…This leads to a strong dependence of the RIXS spectral shape on the excitation energy, which has been confirmed by several experiments. [34][35][36] The selection rules for the RIXS tensor in molecular systems, 12 observed in many cases, 37 constitute the molecular analog of the momentum conservation law. As theoretically predicted in Refs.…”

Section: Discussionmentioning

confidence: 99%

Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s

Guo

Magnuson

Såthe

et al. 1998

The Journal of Chemical Physics

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The electronic structure of some poly͑phenylenevinylene͒s have been investigated by resonant and nonresonant x-ray inelastic scattering spectroscopies. The nonresonant as well as all resonant spectra for each polymer demonstrate benzene-like features, indicating a local character of the x-ray emission in which the phenyl ring acts as a building block. Theoretical simulations of x-ray energies and intensities taking the repeat unit as a model molecule of the polymer agree with the experimental spectra fairly well. The edges of the occupied bands have been identified in the nonresonant spectra of each polymer. By subtracting the emission energy of the highest occupied molecular orbital in the nonresonant spectrum from the core excitation energy in the resonant spectrum an alternative way to determine the optical band gap is obtained. As for free benzene the outer band in the polymer spectra show a depletion of the emission going from the nonresonant to the resonant x-ray emission spectra. It is demonstrated that this transition, which is strictly symmetry forbidden for free benzene, becomes effectively forbidden in the polymer case as a result of strong interference effects, and it is argued that this is the general case for resonant x-ray emission of conjugated polymers as far as the frozen orbital approximation holds.

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Section: Discussionmentioning

confidence: 99%

Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s

Guo

Magnuson

Såthe

et al. 1998

The Journal of Chemical Physics

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“…The excitation dependence of the x-ray emission of HOPG graphite as well as diamond is successfully understood using a scattering approach [3,4,22,39]. The dependence on excitation energy is related to the presence of crystallographic structure induced electronic structure ordering in the system.…”

Section: Resonant X-ray Emission and Rixsmentioning

confidence: 99%

Soft X-ray emission spectroscopy of liquids and lithium batterymaterials

Augustsson

2004

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Lithium ion insertion into electrode materials is commonly used in rechargeable battery technology. The insertion implies changes in both the crystal structure and the electronic structure of the electrode material. Side-reactions may occur on the surface of the electrode which is exposed to the electrolyte and form a solid electrolyte interface (SEI). The understanding of these processes is of great importance for improving battery performance. The chemical and physical properties of water and alcohols are complicated by the presence of strong hydrogen bonding. Various experimental techniques have been used to study geometrical structures and different models have been proposed to view the details of how these liquids are geometrically organized by hydrogen bonding. However, very little is known about the electronic structure of these liquids, mainly due to the lack of suitable experimental tools. In this thesis examples of studies of lithium battery electrodes and liquid systems using soft x-ray emission spectroscopy will be presented. Monochromatized synchrotron radiation has been used to accomplish selective excitation, in terms of energy and polarization. The electronic structure of graphite electrodes has been studied, before and after lithium intercalation. Changes in the electronic structure upon lithiation due to transfer of electrons into the graphite π-bands have been observed. Transfer of electrons in to the 3d states of transition metal oxides upon lithiation have been studied, through low energy excitations as dd-and charge transfer-exciations. A SEI was detected on cycled graphite electrodes. By the use of selective excitation different carbon sites were probed in the SEI. The local electronic structure of water, methanol and mixtures of the two have been examined using a special liquid cell, to separate the liquid from the vacuum in the experimental chamber. Results from the study of liquid water showed a strong influence on the 3a1 molecular orbital and orbital mixing between water molecules upon hydrogen bonding. Apart from the four-hydrogen-bonding structure in water, a structure where one hydrogen bond is broken could be separated and identified. The soft x-ray emission study of methanol showed the existence of ring and chain formations in the liquid phase and the dominating structures are formed of 6 and 8 molecules. Upon mixing of the two liquids, a segregation at the molecular level was found and the formation of new structures, which could explain the unexpected low increase of the entropy. Reprints were made with permission from the publisher. 7The following articles have been omitted from the thesis. They were omitted either due to the character of the material, or due to the limited extent of my contribution.• Bandlike and excitonic states of oxygen in CuGeO 3 : Observation using polarized resonant soft x-ray emission spectroscopy L. • Electronic structure studies of V 6 O 13 by soft X-ray emission spectroscopy: band-like and excitonic vanadium states

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“…6; note that this sharp drop is indeed a spectral feature and not, e.g., a normalization artifact). Furthermore, the most prominent changes in the emission spectra at the π * -resonance (excitation energy: 285.5 eV) are suppressed as well, compared to 3,[27][28][29][30][31] . Apart from these apparent differences, the data is in good agreement with published RIXS data.…”

Section: A Rixs Map Of Hopgmentioning

confidence: 99%

“…Each emission spectrum in the map has been individually normalized to the synchrotron intensity measured as photocurrent from a clean gold mesh placed between the last beamline mirror and the sample. Previous RIXS studies of HOPG are reported in 3,[26][27][28][29][30][31][32] . With the exception of 26,32 , the data in these studies was taken at the same beamline as our RIXS map (8.0.1, Advanced Light Source) using the permanently installed Rowland type spectrometer described in 3 and significantly longer acquisition times per spectrum.…”

Section: A Rixs Map Of Hopgmentioning

confidence: 99%

High-resolution, high-transmission soft x-ray spectrometer for the study of biological samples

Fuchs

Weinhardt

Blum

et al. 2009

Review of Scientific Instruments

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Abstract:We present a variable line-space grating spectrometer for soft x-rays that covers the photon energy range between 130 and 650 eV. The optical design is based on the HettrickUnderwood principle and tailored to synchrotron-based studies of radiation-sensitive biological samples. The spectrometer is able to record the entire spectral range in one shot, i.e. without any mechanical motion, at a resolving power of 1200 or better. Despite its slit-less design, such a resolving power can be achieved for a source spot as large as (30 × 3000) µm 2 , which is important for keeping beam damage effects in radiation-sensitive samples low. The high spectrometer efficiency allows recording comprehensive two-dimensional resonant inelastic soft x-ray scattering (RIXS) maps with good statistics within several minutes. This is exemplarily demonstrated for a RIXS map of highly oriented pyrolytic graphite, which was taken within 10 min.

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Probing the Graphite Band Structure with Resonant Soft-X-Ray Fluorescence

Cited by 175 publications

References 14 publications

Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s

Resonant and nonresonant x-ray scattering spectra of some poly(phenylenevinylene)s

Soft X-ray emission spectroscopy of liquids and lithium batterymaterials

High-resolution, high-transmission soft x-ray spectrometer for the study of biological samples

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