Local density theory of X-ray and photoemission from YBa2Cu3O7-δ: The high Tc superconductor

J. Redinger, Arthur J Freeman, Jaejun Yu, S. Massidda

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Abstract

Photoemission, inverse photoemission and X-ray emission spectra have been calculated using results of a highly precise local density energy band study. Compared to experiment, we find a shift of ∼2 eV to higher binding energy for the Cu-d and the O-pπ bonding states. This shift is attributed to the lack of metallic screening for the Cu-d holes which leaves only charge transfer screening by O ligand electrons. The larger shift of the O-pπ states close to EF compared to those lying lower in energy is attributed to different degrees of localization. By contrast, the lower lying O-pσ bonding states, which show greater itinerant character than the higher lying pπ states, are less affected by relaxation effects.

Original languageEnglish
Pages (from-to)469-473
Number of pages5
JournalPhysics Letters A
Volume124
Issue number8
DOIs
Publication statusPublished - Oct 12 1987

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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