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 language | English |
|---|---|
| Pages (from-to) | 1503-1512 |
| Number of pages | 10 |
| Journal | Journal of Physics and Chemistry of Solids |
| Volume | 52 |
| Issue number | 11-12 |
| DOIs | |
| Publication status | Published - 1991 |
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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 journal › Article
}
TY - JOUR
T1 - Theoretical two-particle momentum density in YBa2Cu3O7-δ
AU - Massidda, S.
AU - Yu, Jaejun
AU - Freeman, Arthur J
AU - Hoffmann, L.
AU - Genoud, P.
AU - Manuel, A. A.
PY - 1991
Y1 - 1991
N2 - 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.
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.
KW - electronic structure
KW - Fermi surfaces
KW - positron annihilation
UR - http://www.scopus.com/inward/record.url?scp=0026391811&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0026391811&partnerID=8YFLogxK
U2 - 10.1016/0022-3697(91)90133-K
DO - 10.1016/0022-3697(91)90133-K
M3 - Article
AN - SCOPUS:0026391811
VL - 52
SP - 1503
EP - 1512
JO - Journal of Physics and Chemistry of Solids
JF - Journal of Physics and Chemistry of Solids
SN - 0022-3697
IS - 11-12
ER -