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

Kozo Okada; Akio Kotani

doi:10.1016/s0368-2048(98)00362-4

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

Kozo Okada, Akio Kotani

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	757-760
Number of pages	4
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	101-103
DOIs	https://doi.org/10.1016/s0368-2048(98)00362-4
Publication status	Published - 1999

Keywords

Cu 2p photoabsorption
LaCuO
Large-cluster effect
Photoemission

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Radiation
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Spectroscopy
Physical and Theoretical Chemistry

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@article{93cbf064715346e79745cbfa28524218,

title = "Large-cluster-model analysis of Cu 2p X-ray absorption spectrum of LaCuO3",

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.",

keywords = "Cu 2p photoabsorption, LaCuO, Large-cluster effect, Photoemission",

author = "Kozo Okada and Akio Kotani",

note = "Funding Information: This work was partially supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science, Sports and Culture in Japan. This work was carried out by the joint research in the Institute for Solid-State Physics, the University of Tokyo, and the computation has been done using the facilities of the Supercomputer Center, Institute for Solid State Physics, the University of Tokyo.",

year = "1999",

doi = "10.1016/s0368-2048(98)00362-4",

language = "English",

volume = "101-103",

pages = "757--760",

journal = "Journal of Electron Spectroscopy and Related Phenomena",

issn = "0368-2048",

publisher = "Elsevier",

}

TY - JOUR

T1 - Large-cluster-model analysis of Cu 2p X-ray absorption spectrum of LaCuO3

AU - Okada, Kozo

AU - Kotani, Akio

N1 - Funding Information: This work was partially supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science, Sports and Culture in Japan. This work was carried out by the joint research in the Institute for Solid-State Physics, the University of Tokyo, and the computation has been done using the facilities of the Supercomputer Center, Institute for Solid State Physics, the University of Tokyo.

PY - 1999

Y1 - 1999

N2 - 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.

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.

KW - Cu 2p photoabsorption

KW - LaCuO

KW - Large-cluster effect

KW - Photoemission

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U2 - 10.1016/s0368-2048(98)00362-4

DO - 10.1016/s0368-2048(98)00362-4

M3 - Article

AN - SCOPUS:30744432376

VL - 101-103

SP - 757

EP - 760

JO - Journal of Electron Spectroscopy and Related Phenomena

JF - Journal of Electron Spectroscopy and Related Phenomena

SN - 0368-2048

ER -