Calculated photoemission and x-ray emission spectra of Bi2Sr2CaCu2O8

P. Marksteiner*, S. Massidda, Jaejun Yu, A. J. Freeman, J. Redinger

*Corresponding author for this work

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Abstract

Angle-integrated photoemission and inverse photoemission (IP) spectra of Bi2Sr2CaCu2O8 were calculated using the single-scatterer final-state approximation and densities of states obtained from a highly precise local-density band calculation. The photoemission spectra of the valence band show mainly Cu d states for high photon energies, and an increasing O p contribution with decreasing photon energies, which brings about qualitative changes in the spectra. The Bi contribution is small in all valence-band spectra, but the unoccupied Bi p states give rise to a peak in the IP spectrum. The calculated O-Kα x-ray emission spectrum (XES) is found to be narrower than might be expected from the O p density of state (DOS) alone due to the different core-level positions for the inequivalent oxygen atoms. By contrast, the calculated Cu LIII XES closely resembles the Cu d contribution to the DOS.

Original languageEnglish (US)
Pages (from-to)5098-5101
Number of pages4
JournalPhysical Review B
Volume38
Issue number7
DOIs
StatePublished - Jan 1 1988

ASJC Scopus subject areas

  • Condensed Matter Physics

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    Marksteiner, P., Massidda, S., Yu, J., Freeman, A. J., & Redinger, J. (1988). Calculated photoemission and x-ray emission spectra of Bi2Sr2CaCu2O8. Physical Review B, 38(7), 5098-5101. https://doi.org/10.1103/PhysRevB.38.5098