Electronic structure of tetragonal LaCuO3 studied by photoemission and x-ray-absorption spectroscopy

Takashi Mizokawa, A. Fujimori, H. Namatame, Y. Takeda, M. Takano

Research output: Contribution to journalArticle

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Abstract

The electronic structure of the formally Cu3+ metallic LaCuO3 has been studied by photoemission and x-ray-absorption spectroscopy. By analyzing the valence-band and Cu 2p core-level photoemission spectra using a CuO6 cluster model, the charge-transfer energy is estimated to be -1 eV, indicating that the ground state is dominated by the d9L configuration with which the d8 configuration is strongly hybridized, where L denotes a ligand hole. However, agreement between the experimental results and the cluster-model calculations is not satisfactory for the detailed line shape of the main peaks. Especially, the Cu 2p x-ray-absorption spectrum cannot be well explained by the single-site cluster-model calculation, suggesting the importance of intercluster interaction. On the other hand, the existence of the charge-transfer satellite in the Pauliparamagnetic state is explained by Hartree-Fock band-structure and self-energy calculations using parameters deduced from the analysis of the photoemission spectra.

Original languageEnglish
Pages (from-to)9550-9556
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number16
Publication statusPublished - 1998 Apr 15
Externally publishedYes

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Photoemission
Absorption spectroscopy
x ray absorption
x ray spectroscopy
Electronic structure
absorption spectroscopy
photoelectric emission
electronic structure
X rays
Charge transfer
charge transfer
Core levels
x ray spectra
Valence bands
configurations
Band structure
Ground state
line shape
Absorption spectra
Ligands

ASJC Scopus subject areas

  • Condensed Matter Physics

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Electronic structure of tetragonal LaCuO3 studied by photoemission and x-ray-absorption spectroscopy. / Mizokawa, Takashi; Fujimori, A.; Namatame, H.; Takeda, Y.; Takano, M.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 57, No. 16, 15.04.1998, p. 9550-9556.

Research output: Contribution to journalArticle

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