Multiple-scattering analysis of K-edge x-ray-absorption near-edge spectrum of YBa/sub 2/Cu/sub 3/O/sub 7/
Journal Article
·
· Phys. Rev. B: Condens. Matter; (United States)
The copper K-edge x-ray-absorption near-edge structure (XANES) of YBa/sub 2/Cu/sub 3/O/sub 7/ has been analyzed by using the full multiple-scattering approach. Using the atomic coordinates of the orthorhombic oxygen-deficient perovskite structure the absorption spectra of both the Cu(1) and CU(2) sites have been calculated. All features of the experimental Cu K-edge XANES spectrum can be simply interpreted as arising from one-electron transitions to final states mainly determined by the atomic distribution in the large clusters of 40 atoms surrounding the CU(1) and the Cu(2) central absorbing atoms. The XANES spectra in this strongly anisotropic system are strongly polarization dependent, therefore the prediction of the polarized Cu K-edge spectra for a single crystal is reported. The role of the mixing of different configurations of the passive valence electrons on the Cu K-edge XANES is discussed.
- Research Organization:
- Dipartimento di Fisica, Universita degli Studi di Roma ''La Sapienza,'' 00185 Roma, Italy
- OSTI ID:
- 7004891
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 38:1; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTRA
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
ELECTRONIC STRUCTURE
MULTIPLE SCATTERING
OXIDES
OXYGEN COMPOUNDS
SCATTERING
SPECTRA
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
X-RAY SPECTRA
YTTRIUM COMPOUNDS
YTTRIUM OXIDES
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTRA
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
ELECTRONIC STRUCTURE
MULTIPLE SCATTERING
OXIDES
OXYGEN COMPOUNDS
SCATTERING
SPECTRA
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
X-RAY SPECTRA
YTTRIUM COMPOUNDS
YTTRIUM OXIDES