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X-ray absorption near edge structures in cobalt oxides

Published online by Cambridge University Press:  31 January 2011

T. Jiang  and
D. E. Ellis
T. Jiang
Affiliation:
Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208
D. E. Ellis
Affiliation:
Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208
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Abstract

Theoretical studies have been made of K-edge x-ray absorption near edge structure (XANES) of Co in CoO, Co(OH)2, CoTiO3, Co3O4, and CoAl2O4. Correlations of experimental near edge features with site symmetry, local geometry, local electronic structure, i.e., atomic configuration, charge transfer, and backscattering from neighboring atomic potentials are interpreted. The self-consistent Discrete Variational Xa Method (DV-Xα) within an embedded cluster technique has been used to generate the crystal potential. A multiple scattering (MS) approach is then used to solve for the final state wave function. The ground state DV wave functions are analyzed in terms of the projected density of states, whereas the final state MS continuum wave functions are analyzed through the concept of photoelectron trapping time.

Type
Articles
Information
Journal of Materials Research , Volume 11 , Issue 9 , September 1996 , pp. 2242 - 2256
Copyright
Copyright © Materials Research Society 1996

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