Local density theory of X-ray and photoemission from YBa2Cu3O7-δ

The high Tc superconductor

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

Research output: Contribution to journalArticle

77 Citations (Scopus)

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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photoelectric emission
shift
screening
x rays
leaves
energy bands
emission spectra
binding energy
charge transfer
ligands
electrons
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Local density theory of X-ray and photoemission from YBa2Cu3O7-δ : The high Tc superconductor. / Redinger, J.; Freeman, Arthur J; Yu, Jaejun; Massidda, S.

In: Physics Letters A, Vol. 124, No. 8, 12.10.1987, p. 469-473.

Research output: Contribution to journalArticle

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