Ab initio MO Studies of the Hole Delocalization in Copper Oxides and Related Species: Necessity of the Extended Hubbard Model : Electrical Properties of Condensed Matter

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概要

• 論文の詳細を見る

• The positive holes for copper oxides and isoelectronic species were investigated by the ab initio molecular orbital (MO) method. It is found that the hole is delocalized over the oxide clusters because of the strong 3dσ-2pσ hybridization, and that the spin polarization of the closed-shell pairs is remarkable, indicating an important role of the spin fluctuation for high-T_c superconductivety. The extended Hubbard model is necessary for theoretical studies of the hole delocalizations in copper oxides.

• 社団法人応用物理学会の論文
• 1988-04-20

著者

• 山口 浩一

  電気通信大学電子工学科

• Nasu Keiichiro

  Institute For Molecular Science

• YAMAGUCHI Kizashi

  Faculty of Engineering Science, Osaka University

• FUENO Takayuki

  Faculty of Engineering Science, Osaka University

• Fueno T

  Faculty Of Engineering Science Osaka University

• Fueno Takayuki

  Faculty Of Engineering Science Osaka University

• Nasu K

  Institute Of Materials Structure Science Kek : Department Of Materials Structure Science The Graduat

• 山口 浩一

  電気通信大学電気通信学部電子工学科

• Nakasuji K

  Department Of Regulatory Bioorganic Chemistry The Institute Of Scientific And Industrial Research (i

• Takahara Yuuichirou

  Department Of Electronics Yamanashi University:(present Address)toshiba Lighting And Technology Co.

• TAKAHARA Yoichi

  Faculty of Engineering Science, Osaka Univarsity

• Nakasuji Kazuhiro

  Department Of Regulatory Bioorganic Chemistry The Institute Of Scientific And Industrial Research (i

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