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 -