抄録
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.
本文言語 | English |
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ページ(範囲) | 191-194 |
ページ数 | 4 |
ジャーナル | Journal of Electron Spectroscopy and Related Phenomena |
巻 | 78 |
DOI | |
出版ステータス | Published - 1996 5月 |
外部発表 | はい |
ASJC Scopus subject areas
- 電子材料、光学材料、および磁性材料
- 放射線
- 原子分子物理学および光学
- 凝縮系物理学
- 分光学
- 物理化学および理論化学