Large-cluster-model analysis of Cu 2p X-ray absorption spectrum of LaCuO3

Kozo Okada, Akio Kotani

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The double-peak feature in the Cu 2p photoabsorption line shape of LaCuO3 is discussed on the basis of large-cluster-model calculations. Owing to the large covalency in LaCuO3, the photoabsorption at a particular Cu site triggers the electronic excitation at neighboring Cu sites. The excitation energy at the distant Cu sites contributes to the energy separation of the two peaks in the Cu 2p absorption appreciably. Therefore the photoabsorption final states in LaCuO3 cannot be simulated by a single-site cluster model,CuO6, which is in clear contrast to the divalent transition-metal monoxides.

Original languageEnglish
Pages (from-to)757-760
Number of pages4
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume101-103
Publication statusPublished - 1999

Fingerprint

X ray absorption
photoabsorption
Absorption spectra
absorption spectra
Excitation energy
Transition metals
x rays
excitation
line shape
actuators
transition metals
energy
electronics

Keywords

  • Cu 2p photoabsorption
  • LaCuO
  • Large-cluster effect
  • Photoemission

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Large-cluster-model analysis of Cu 2p X-ray absorption spectrum of LaCuO3. / Okada, Kozo; Kotani, Akio.

In: Journal of Electron Spectroscopy and Related Phenomena, Vol. 101-103, 1999, p. 757-760.

Research output: Contribution to journalArticle

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AB - The double-peak feature in the Cu 2p photoabsorption line shape of LaCuO3 is discussed on the basis of large-cluster-model calculations. Owing to the large covalency in LaCuO3, the photoabsorption at a particular Cu site triggers the electronic excitation at neighboring Cu sites. The excitation energy at the distant Cu sites contributes to the energy separation of the two peaks in the Cu 2p absorption appreciably. Therefore the photoabsorption final states in LaCuO3 cannot be simulated by a single-site cluster model,CuO6, which is in clear contrast to the divalent transition-metal monoxides.

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