X-ray absorption near edge structures in cobalt oxides

T. Jiang*, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

29 Scopus citations


Theoretical studies have been made of K-edge x-ray absorption near edge structure (XANES) of Co in CoO, Co(OH)2, CoAl2O3, 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 Xα 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.

Original languageEnglish (US)
Pages (from-to)2242-2256
Number of pages15
JournalJournal of Materials Research
Issue number9
StatePublished - Sep 1996

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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