1a1g to 3b1 g conversion at the onset of superconductivity in La 2-xSrxCu04 due to the apical oxygen effect

Hiroshi Kamimura, Mikio Eto

Research output: Contribution to journalArticle

84 Citations (Scopus)

Abstract

By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of Cu06 octahedron in La2-xSrxCuO4 changes from 1Alg to 3B1g near the observed onset concentration of superconductivity while the ground state of the Cu04 cluster in Nd2-x.Ce xCuO4 is always 3B1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole-and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al.

Original languageEnglish
Pages (from-to)3053-3056
Number of pages4
JournalJournal of the Physical Society of Japan
Volume59
Issue number9
Publication statusPublished - 1990 Sep
Externally publishedYes

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superconductivity
ground state
oxygen
variational principles
electrons
phase diagrams

Keywords

  • Cluster simulation, MCSCF method
  • High temperature superconductivity
  • LaSr CuO
  • NdCeCuO
  • Spin polaron

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

1a1g to 3b1 g conversion at the onset of superconductivity in La 2-xSrxCu04 due to the apical oxygen effect. / Kamimura, Hiroshi; Eto, Mikio.

In: Journal of the Physical Society of Japan, Vol. 59, No. 9, 09.1990, p. 3053-3056.

Research output: Contribution to journalArticle

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