Effects of Hund's Coupling on Oxygen 1<i>s</i>X-ray Absorption and Resonant X-ray Emission in One-dimensional Nickelates

• Okada Kozo

  The Graduate School of Natural Science and Technology, Okayama University

書誌事項

タイトル別名

• Effects of Hund's Coupling on Oxygen 1s X-ray Absorption and Resonant X-ray Emission in One-dimensional Nickelates

抄録

The electronic structure of quasi-one-dimensional nickelates, where the formal electron configuration of Ni ions is d⁸, is discussed on the basis of numerically-exact diagonalization calculations of the O 1s X-ray absorption spectrum (XAS) and X-ray emission spectrum (XES) using a four-site one-dimensional cluster model. In the undoped nickelate, the band dispersion along the chain direction is suppressed owing to the intra-atomic Coulomb interaction (U) and Hund’s coupling (J) on the Ni 3d shell. As a result, the width of the O 1s XAS peak that corresponds to the transition to the upper Hubbard band (UHB) is very narrow. Upon hole-doping, two new peaks that are split by J appear about 2 eV below the UHB peak in accordance with the recent experiment of Y_2−xCa_xBaNiO₅. In the O 1s XES of the undoped nickelate, we expect a peak that is caused by the spin exchange between neighboring Ni sites.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 73 (7), 1681-1684, 2004

  一般社団法人 日本物理学会

キーワード

• resonant X-ray emission spectroscopy
• X-ray absorption
• electron correlation
• nickelate
• Hund’s coupling

詳細情報

• CRID: 1390001204186991616
• NII論文ID: 110001954878
• NII論文ID: 210000104890
• NII論文ID: 130004538816
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.73.1681
• BIBCODE: 2004JPSJ...73.1681O
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 7004071
• Web Site: http://id.ndl.go.jp/bib/7004071
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7004071
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.73.1681
• 本文言語コード: en
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