On the Mott-Hubbard Band in La_2CuO_4

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概要

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• The Mott-Hubbard (MH) band in the charge-transfer type insulator La_2CuO_4 is investigated theoretically. The two cases in each of which either 3d_<x^2-y^2> or 3d_<3z^2-r^2> orbit on the Cu site (with the z axis perpendicular to the CuO_2 plane) forms the MH-band are examined by applying Hubbard's approximation to these orbits. The relevant 2p orbits on the ligand O sites and a d orbit free from MH splitting are taken into account with the use of the Hartree-Fock approximation. The calculated result shows that the d_<3z^2-r^2> orbit can cause the MH band occupied by about one d-hole, while it is very difficult for the d_<x^2-y^2> orbit to form a MH band lying above the top valence band.

• 理論物理学刊行会の論文
• 1991-02-05

著者

• Ikebe M

  Institute For Materials Research Tohoku University:(present Address)faculty Of Engineering Iwate Uni

• Kataoka Mitsuo

  Institute For Materials Research Tohoku University

• Ikebe Manabu

  Institute For Materials Research Tohoku University : Department Of Electronic Engineering Faculty Of

• IKEBE Manabu

  Institute for Materials Research, Tohoku University : Department of Electronic Engineering, Faculty of Engineering, Iwate University

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