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231222s2001 xx ||||| 00| ||eng c |
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|a (NLM)11512737
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|e rakwb
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|a eng
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|a Sipr, O
|e verfasserin
|4 aut
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|a Polarized Cu K edge XANES spectra of CuO--theory and experiment
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|c 2001
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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| 338 |
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|a Band
|b nc
|2 rdacarrier
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|a Date Completed 06.09.2001
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|a Date Revised 05.06.2019
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a 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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|a Journal Article
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|a Simůnek, A
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Bocharov, S
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Kirchner, T
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Dräger, G
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of synchrotron radiation
|d 1999
|g 8(2001), Pt 2 vom: 01. März, Seite 235-7
|w (DE-627)NLM09824129X
|x 0909-0495
|7 nnns
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| 773 |
1 |
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|g volume:8
|g year:2001
|g number:Pt 2
|g day:01
|g month:03
|g pages:235-7
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|a GBV_ILN_2005
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|a AR
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|d 8
|j 2001
|e Pt 2
|b 01
|c 03
|h 235-7
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