Polarized Cu K edge XANES spectra of CuO--theory and experiment
Polarized Cu K edge x-ray absorption near-edge structure (XANES) spectra of CuO are analyzed. Partial spectral components reflecting both dipole and quadrupole transitions are resolved from the experiment. Theoretical spectra were obtained using the real-space multiple-scattering technique and by ca...
| Veröffentlicht in: | Journal of synchrotron radiation. - 1999. - 8(2001), Pt 2 vom: 01. März, Seite 235-7 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2001
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| Zugriff auf das übergeordnete Werk: | Journal of synchrotron radiation |
| Schlagworte: | Journal Article |
| Zusammenfassung: | Polarized Cu K edge x-ray absorption near-edge structure (XANES) spectra of CuO are analyzed. Partial spectral components reflecting both dipole and quadrupole transitions are resolved from the experiment. Theoretical spectra were obtained using the real-space multiple-scattering technique and by calculating the band structure via the pseudopotential method. We demonstrate that the pre-peak is of a quadrupole character and find its decomposition into individual d components. The self consistent pseudopotential calculation, free from any constraints on the form of the potential, improves the agreement between theory and experiment in those areas where real-space calculation, based on non-self-consistent muffin-tin potential, fails. Therefore we argue that the most significant contributions to the Cu K edge XANES come from one-electron processes |
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| Beschreibung: | Date Completed 06.09.2001 Date Revised 05.06.2019 published: Print Citation Status PubMed-not-MEDLINE |
| ISSN: | 0909-0495 |