Theory of high temperature superconductivity in cuprates: I. First principles cluster calculations for the electronic structures of CuO6 octahedron and CuO5 pyramid

Akihiro Sano, Mikio Eto, Hiroshi Kamimura

研究成果: Article査読

6 被引用数 (Scopus)

抄録

In this paper we first describe the multi-configuration self-consistent field method with configuration interaction (MCSCF-CI) which is a variational method most suitable for strongly-correlated cluster systems. Then the calculated results of CuO6 cluster embedded in hole-doped La2-xSrxCuO4 and of CuC4 cluster in the electron-doped Nd2-xCexCuC4 are reviewed. Finally the calculated results on the electronic structure of CuO5 pyramid embedded in the insulating YBa2Cu3O6 and superconducting YBa2Cu3O7 are newly presented. In the latter case we will clarify an important role of the Cu-O chain in the electronic and superconducting state of YBa2Cu3O7.

本文言語English
ページ(範囲)3733-3750
ページ数18
ジャーナルInternational Journal of Modern Physics B
11
32
DOI
出版ステータスPublished - 1997 12月 30

ASJC Scopus subject areas

  • 統計物理学および非線形物理学
  • 凝縮系物理学

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