Photoemission and x-ray absorption spectroscopy of PrNiO3

T. Mizokawa; A. Fujimori; T. Arima; Y. Tokura; N. Mori; J. Akimitsu

doi:10.1016/s0368-2048(96)80059-4

Photoemission and x-ray absorption spectroscopy of PrNiO₃

T. Mizokawa, A. Fujimori, T. Arima, Y. Tokura, N. Mori, J. Akimitsu

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

Abstract

The electronic structure of PrNiO₃ has been studied by photoemission and x-ray absorption spectroscopy and subsequent configuration-interaction calculations on a NiO₆ cluster model. It has been found that the charge-transfer energy Δ is ∼ 1 eV and that the Ni 3d and O 2p orbitals are strongly hybridized in the ground state. We have also performed unrestricted Hartree-Fock calculations on a Ni 3d-O 2p perovskite-type lattice model using the parameters obtained from the cluster-model analysis.

Original language	English
Pages (from-to)	191-194
Number of pages	4
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	78
DOIs	https://doi.org/10.1016/s0368-2048(96)80059-4
Publication status	Published - May 1996
Externally published	Yes

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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10.1016/s0368-2048(96)80059-4

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title = "Photoemission and x-ray absorption spectroscopy of PrNiO3",

abstract = "The electronic structure of PrNiO3 has been studied by photoemission and x-ray absorption spectroscopy and subsequent configuration-interaction calculations on a NiO6 cluster model. It has been found that the charge-transfer energy Δ is ∼ 1 eV and that the Ni 3d and O 2p orbitals are strongly hybridized in the ground state. We have also performed unrestricted Hartree-Fock calculations on a Ni 3d-O 2p perovskite-type lattice model using the parameters obtained from the cluster-model analysis.",

author = "T. Mizokawa and A. Fujimori and T. Arima and Y. Tokura and N. Mori and J. Akimitsu",

year = "1996",

month = may,

doi = "10.1016/s0368-2048(96)80059-4",

language = "English",

volume = "78",

pages = "191--194",

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

issn = "0368-2048",

publisher = "Elsevier",

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T1 - Photoemission and x-ray absorption spectroscopy of PrNiO3

AU - Mizokawa, T.

AU - Fujimori, A.

AU - Arima, T.

AU - Tokura, Y.

AU - Mori, N.

AU - Akimitsu, J.

PY - 1996/5

Y1 - 1996/5

N2 - The electronic structure of PrNiO3 has been studied by photoemission and x-ray absorption spectroscopy and subsequent configuration-interaction calculations on a NiO6 cluster model. It has been found that the charge-transfer energy Δ is ∼ 1 eV and that the Ni 3d and O 2p orbitals are strongly hybridized in the ground state. We have also performed unrestricted Hartree-Fock calculations on a Ni 3d-O 2p perovskite-type lattice model using the parameters obtained from the cluster-model analysis.

AB - The electronic structure of PrNiO3 has been studied by photoemission and x-ray absorption spectroscopy and subsequent configuration-interaction calculations on a NiO6 cluster model. It has been found that the charge-transfer energy Δ is ∼ 1 eV and that the Ni 3d and O 2p orbitals are strongly hybridized in the ground state. We have also performed unrestricted Hartree-Fock calculations on a Ni 3d-O 2p perovskite-type lattice model using the parameters obtained from the cluster-model analysis.

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UR - http://www.scopus.com/inward/citedby.url?scp=0039464369&partnerID=8YFLogxK

U2 - 10.1016/s0368-2048(96)80059-4

DO - 10.1016/s0368-2048(96)80059-4

M3 - Article

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SN - 0368-2048

VL - 78

SP - 191

EP - 194

JO - Journal of Electron Spectroscopy and Related Phenomena

JF - Journal of Electron Spectroscopy and Related Phenomena

ER -

Photoemission and x-ray absorption spectroscopy of PrNiO₃

Abstract

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