Theoretical two-particle momentum density in YBa2Cu3O7-δ

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

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

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
Pages (from-to)1503-1512
Number of pages10
JournalJournal of Physics and Chemistry of Solids
Volume52
Issue number11-12
DOIs
Publication statusPublished - 1991

Fingerprint

Momentum
momentum
Local density approximation
Fermi surface
Positrons
angular correlation
Surface structure
folding
Fermi surfaces
Electronic structure
positrons
plane waves
electronic structure
trends
Radiation
Electrons
radiation
approximation
electrons
Experiments

Keywords

  • electronic structure
  • Fermi surfaces
  • positron annihilation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Theoretical two-particle momentum density in YBa2Cu3O7-δ. / Massidda, S.; Yu, Jaejun; Freeman, Arthur J; Hoffmann, L.; Genoud, P.; Manuel, A. A.

In: Journal of Physics and Chemistry of Solids, Vol. 52, No. 11-12, 1991, p. 1503-1512.

Research output: Contribution to journalArticle

Massidda, S. ; Yu, Jaejun ; Freeman, Arthur J ; Hoffmann, L. ; Genoud, P. ; Manuel, A. A. / Theoretical two-particle momentum density in YBa2Cu3O7-δ. In: Journal of Physics and Chemistry of Solids. 1991 ; Vol. 52, No. 11-12. pp. 1503-1512.
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AU - Manuel, A. A.

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AB - 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.

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