Abstract
Comparison of UPS (XPS) and XES spectra for the high Tc superconductor La2-xMxCuO4 - calculated using highly precise local density results - with available experimental data reveals a large shift of about 2 eV to lower energies for the Cu-d related features. This shift is interpreted qualitatively in terms of a simple two-level model taking into account the hole-hole repulsion at the Cu sites in the photoemission final state. This simple model explains nicely the magnitude of the shift, the occurence of a Cu related satellite below the valence-bands, and the charge-transfer screening of the Cu-d photo-holes by O-p electrons. The O-states, especially the bonding states at the bottom of the valence band, are less affected and agree reasonably well with the experimental findings.
| Original language | English |
|---|---|
| Pages (from-to) | 463-468 |
| Number of pages | 6 |
| Journal | Physics Letters A |
| Volume | 124 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Oct 12 1987 |
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Calculated local density X-ray and photoemission spectra for superconducting La2-xMxCuO4 : Localization of Cu-3d. / Redinger, J.; Yu, Jaejun; Freeman, Arthur J; Weinberger, P.
In: Physics Letters A, Vol. 124, No. 8, 12.10.1987, p. 463-468.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Calculated local density X-ray and photoemission spectra for superconducting La2-xMxCuO4
T2 - Localization of Cu-3d
AU - Redinger, J.
AU - Yu, Jaejun
AU - Freeman, Arthur J
AU - Weinberger, P.
PY - 1987/10/12
Y1 - 1987/10/12
N2 - Comparison of UPS (XPS) and XES spectra for the high Tc superconductor La2-xMxCuO4 - calculated using highly precise local density results - with available experimental data reveals a large shift of about 2 eV to lower energies for the Cu-d related features. This shift is interpreted qualitatively in terms of a simple two-level model taking into account the hole-hole repulsion at the Cu sites in the photoemission final state. This simple model explains nicely the magnitude of the shift, the occurence of a Cu related satellite below the valence-bands, and the charge-transfer screening of the Cu-d photo-holes by O-p electrons. The O-states, especially the bonding states at the bottom of the valence band, are less affected and agree reasonably well with the experimental findings.
AB - Comparison of UPS (XPS) and XES spectra for the high Tc superconductor La2-xMxCuO4 - calculated using highly precise local density results - with available experimental data reveals a large shift of about 2 eV to lower energies for the Cu-d related features. This shift is interpreted qualitatively in terms of a simple two-level model taking into account the hole-hole repulsion at the Cu sites in the photoemission final state. This simple model explains nicely the magnitude of the shift, the occurence of a Cu related satellite below the valence-bands, and the charge-transfer screening of the Cu-d photo-holes by O-p electrons. The O-states, especially the bonding states at the bottom of the valence band, are less affected and agree reasonably well with the experimental findings.
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U2 - 10.1016/0375-9601(87)90555-X
DO - 10.1016/0375-9601(87)90555-X
M3 - Article
VL - 124
SP - 463
EP - 468
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
SN - 0375-9601
IS - 8
ER -