| 1. |
- Freelon, B., et al.
(författare)
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Low energy electronic spectroscopy of an infinite-layer cuprate : A resonant inelastic X-ray scattering study of CaCuO2
- 2010
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Ingår i: Physica. C, Superconductivity. - : Elsevier BV. - 0921-4534 .- 1873-2143. ; 470:3, s. 187-192
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Tidskriftsartikel (refereegranskat)abstract
- We report the results of Oxygen K-edge soft X-ray absorption and emission spectroscopy that was performed on an infinite-layer insulating cuprate thin film CaCuO2 Experimentally obtained spectra arc consistent with local density approximation calculations X-ray absorption spectra show a close resemblance to spectra obtained from homologous single crystal cuprates In addition to d-d excitations. X-ray emission spectra reveal the presence of Zhang-Rice singlet states in the infinite-layer CuO2 planes The question of whether the Zhang-Rice singlet features are masked by the O 2p main-band is addressed. it is possible to quantify the position of the Zhang-Rice singlet using emission intensity profiles X-ray emission is demonstrated as a tool for understanding CuO2 planar electronic correlation in the prototypical infinite-layer The energy difference, 2 0 eV, between the oxygen main-band and the Zhang-Rice singlet band is found to match values obtained theoretically using established planar electronic correlation parameters.
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| 3. |
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| 4. |
- Persson, Clas, et al.
(författare)
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X-ray absorption and emission spectroscopy of ZnO nanoparticle and highly oriented ZnO microrod arrays
- 2006
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Ingår i: Microelectronics Journal. - : Elsevier BV. - 0026-2692. ; 37:8, s. 686-689
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structures of ZnO nanoparticles and microrod arrays are studied by 0 Is X-ray absorption spectroscopy (XAS) and O K alpha X-ray emission spectroscopy (XES). We show that the present LDA +U-SIC calculation approach is suitable to correct the LDA self-interaction error of the cation d-states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces strong Zn-3d-O-2p hybridization. This anomalous valence band cation-d-anion-p hybridization is affected when the localization of the Zn 3d-states is taken into account. Experimentally, the XES spectra show energy dependence in the spectral shape revealing selected excitations to the Zn 3d, 4s and 4p states, hybridized with 0 2p states. Strong anisotropic effects are observed for the highly oriented ZnO rods, but not for the isotropic spherical nanoparticles. The nanostructured ZnO has primarily bulk XAS and XES properties.
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| 5. |
- Schmitt, T, et al.
(författare)
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Resonant soft X-ray emission spectroscopy of doped and undoped vanadium oxides
- 2004
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Ingår i: Journal of Alloys and Compounds. - 0925-8388 .- 1873-4669. ; 362:1-2, s. 143-150
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Tidskriftsartikel (refereegranskat)abstract
- Resonant soft X-ray emission (RSXE) spectra of NaV2O5, MoxV1-xO2 and V2O3 have been recorded for a series of excitation energies at resonances of the V L- and O K-absorption band. Resonant excitation allows us, firstly, to separate V 3d and O 2p projected density-of-states of the valence band and, secondly, to study charge-neutral low-energy excitations due to resonant inelastic X-ray scattering (RIXS). We found that both the V L- and the O K-emission spectra clearly show components originating from O 2p- and V 3d-states, reflecting the high degree of hybridization of the valence band in all compounds. At threshold excitation we observed that NaV2O5 spectra are dominated by RIXS whereas MoxV1-xO2 and V2O3 spectra show bandlike features, which may be due to differences in the correlation effects of the compounds. We compared the RSXE spectra with cluster model calculations, which gives a good account for NaV2O5 whereas the RSXE spectra of the other compounds show RIXS only at certain energies well above the threshold. In fact, we interpret the trend in the RSXE spectra of the MoxV1-xO2 compound system as a successive filling of the (rigid) V 3d band with increasing Mo content. (C) 2003 Elsevier B.V. All rights reserved.
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| 8. |
- Augustsson, A, et al.
(författare)
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The electronic structure and lithiation of electrodes based on vanadium-oxide nanotubes
- 2003
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Ingår i: Journal of Applied Physics. ; 94:8, s. 5083-5087
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Tidskriftsartikel (refereegranskat)abstract
- The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.
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| 9. |
- Brena, Barbara, et al.
(författare)
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Conformation dependence of electronic structures of poly(ethylene oxide)
- 2005
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Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 109:16, s. 7907-7914
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure of pure poly(ethylene oxide) (PEO) for four different polymeric chain conformations has been studied by Hartree-Fock (HF) and density functional theory (DFT) through the analysis of their valence band photoelectron spectroscopy (VB-PES), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS). It is shown that the valence band of PEO presents specific conformation dependence, which can be used as a fingerprint of the polymeric structures. The calculated spectra have been compared with experimental results for PEO powder.
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| 10. |
- Guo, J.-H., et al.
(författare)
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Molecular structure of alcohol-water mixtures
- 2003
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 91:15
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Tidskriftsartikel (refereegranskat)abstract
- We use x-ray emission spectroscopy to elucidate the molecular structure of liquid methanol, water, and methanol-water solutions. We find that molecules in the pure liquid methanol predominantly persist as hydrogen-bonded chains and rings with six and/or eight molecules of equal abundance. For water-methanol solutions we find evidence of incomplete mixing at the microscopic level. Our results provide a new explanation for a smaller entropy increase in the solution due to water molecules bridging methanol chains to form rings.
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