Calculated local density X-ray and photoemission spectra for superconducting La2-xMxCuO4

Localization of Cu-3d

J. Redinger, Jaejun Yu, Arthur J Freeman, P. Weinberger

Research output: Contribution to journalArticle

56 Citations (Scopus)

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 languageEnglish
Pages (from-to)463-468
Number of pages6
JournalPhysics Letters A
Volume124
Issue number8
DOIs
Publication statusPublished - Oct 12 1987

Fingerprint

photoelectric emission
shift
valence
x rays
screening
charge transfer
electrons
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

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 journalArticle

@article{4d231c81266b4b20859ffb52a0967968,
title = "Calculated local density X-ray and photoemission spectra for superconducting La2-xMxCuO4: Localization of Cu-3d",
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.",
author = "J. Redinger and Jaejun Yu and Freeman, {Arthur J} and P. Weinberger",
year = "1987",
month = "10",
day = "12",
doi = "10.1016/0375-9601(87)90555-X",
language = "English",
volume = "124",
pages = "463--468",
journal = "Physics Letters, Section A: General, Atomic and Solid State Physics",
issn = "0375-9601",
publisher = "Elsevier",
number = "8",

}

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.

UR - http://www.scopus.com/inward/record.url?scp=0001448322&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001448322&partnerID=8YFLogxK

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 -