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O K-V Spectra of Oxides and Superconducting Materials

Published online by Cambridge University Press:  06 March 2019

Masahiro Sakai
Affiliation:
Department of Industrial Chemistry, University of Tokyo, Hongo, Bunkyo-hu, Tokyo 113, Japan
Shinjiro Hayakawa
Affiliation:
Department of Industrial Chemistry, University of Tokyo, Hongo, Bunkyo-hu, Tokyo 113, Japan
Jun Kawai
Affiliation:
The Institute of Physical and Chemical Research (RIKEN), Wako, Saitama, 351-01, Japan
Yohichi Gohshi
Affiliation:
Department of Industrial Chemistry, University of Tokyo, Hongo, Bunkyo-hu, Tokyo 113, Japan
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Abstract

Oxygen K-V (Kα) X-ray fluorescence spectra of MgO, Cu2O, CuO, La2CuO4, La2-xSrxCuO4, YBa2Cu3O7-x , and GdBa2Cu3O7-x are measured. The local (oxygen) and partial (2p) electron density of states (DOS) of these compounds are calculated by the cluster approximation with the discrete variational (DV) Hartree-Fock-Slater (Xα) method. The calculated O 2p DOS are compared with the measured X-ray fluorescence spectra. It is found that the measured 0 K-V X-ray fluorescence line shapes are well reproduced by the O 2p DOS calculated by a cluster including the second nearest neighbor atoms (oxygen atoms) in the solids. This indicates that the oxygen K-V X-ray emission spectra reflect the oxygen-oxygen orbital hybridization in the solid as well as the oxygen-metal orbital hybridization.

Type
II. Analysis of Light Elements by X-Ray Spectrometry
Copyright
Copyright © International Centre for Diffraction Data 1992

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