Two-Copper-Atom Units Induce a Pseudo Jahn–Teller Polaron in Hole-Doped Cuprate Superconductors

• Miyaki Satoru

  Graduate School of Material Sicence, University of Hyogo

• Makoshi Kenji

  Graduate School of Material Sicence, University of Hyogo

• Koizumi Hiroyasu

  Institute of Materials Science, University of Tsukuba

抄録

Multiconfiguration molecular orbital cluster calculation results combined with experimental observations suggest that the local electronic state unit for a doped hole contains at least two Cu atoms in contrast to the Zhang–Rice singlet state that includes only one Cu atom. The cluster calculation shows that a doped hole in a two copper containing cluster induces a pseudo Jahn–Teller instability with stabilization energy that agrees with a peak in the photoinduced conductivity measurement, and the Cu–O bond length fluctuations that explain the EXAFS experiment; the charge-transfer energy gap observed in the optical conductivity measurement, and an excitation energy that corresponds to a peak in the energy loss function are also obtained from the calculation including two Cu atoms.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 77 (3), 034702-034702, 2008

  一般社団法人 日本物理学会

キーワード

• molecular orbital cluster calculation
• cuprate
• local electronic state
• pseudo Jahn–Teller effect
• EXAFS
• charge transfer gap
• excited electronic state

詳細情報

• CRID: 1390282679174400768
• NII論文ID: 130005436333
• NII論文ID: 110006633484
• NII論文ID: 210000107160
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.77.034702
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 9421806
• Web Site: http://id.ndl.go.jp/bib/9421806
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I9421806
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.77.034702
• 本文言語コード: en
• データソース種別:
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