Theoretical two-particle momentum density in YBa2Cu3O7-δ

S. Massidda*, Jaejun Yu, A. J. Freeman, L. Hoffmann, P. Genoud, A. A. Manuel

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


We present calculations of the electron-positron momentum density for YBa2Cu3O7-δ for δ = 0 and 1 respectively and for an ordered YBa2Cu3O7/YBa2Cu3O6 (100) superlattice, based on first-prindples electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our present results account for the trends observed in the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) of the metallic and insulating compounds, as measured in Geneva. The Lock, Crisp, and West folding is applied in order to emphasize Fermi surface structures. While for δ = 0 the chain related breaks are large, they are predicted to be smaller by a factor of two for δ = 0.5, and to be hardly visible in experiments.

Original languageEnglish (US)
Pages (from-to)1503-1512
Number of pages10
JournalJournal of Physics and Chemistry of Solids
Issue number11-12
StatePublished - 1991


  • Fermi surfaces
  • electronic structure
  • positron annihilation

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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