X-ray absorption near edge theory. Final report [electronic resource]
One of the long term research goals has been to attain a quantitative theory of deep core X-ray spectroscopies. These spectroscopies include X-ray absorption fine structure (XAFS), X-ray absorption near edge structure (XANES), X-ray magnetic circular dichroism (XMCD), diffraction anomalous fine stru...
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Online Access |
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| Corporate Author: | |
| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Energy Research ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
1997.
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| Summary: | One of the long term research goals has been to attain a quantitative theory of deep core X-ray spectroscopies. These spectroscopies include X-ray absorption fine structure (XAFS), X-ray absorption near edge structure (XANES), X-ray magnetic circular dichroism (XMCD), diffraction anomalous fine structure (DAFS), photoelectron diffraction (PD), and others. All are used extensively at modern synchrotron radiation facilities. Since they share in common the same excited state electronic structure, these spectroscopies have similar theoretical underpinings: they all can be described in terms of a curved wave multiple scattering (MS) formalism. These spectroscopies are important probes of local atomic structure, especially in non-crystalline materials where conventional diffraction techniques are inapplicable. However, their interpretation usually requires accurate theoretical models or experimental reference standards. With the development of the authors fast XAFS codes FEFF, they have taken a giant step toward these goals. MS codes are generally equivalent or better than experimental standards, and have been recognized as the best of those available. Accomplishments are summarized. They include an improved photoelectron self-energy approximation for near edge calculations, intrinsic and interference effects, improved edge calculations, background fine structure, improved FEFF code, full MS XANES calculations, and calculation of the fine structure in the XMCD of Gd. |
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| Item Description: | Published through SciTech Connect. 05/01/1997. "doe/er/45415--t2" "DE97004975" Rehr, J.J. |
| Physical Description: | 13 p. : digital, PDF file. |