LSD Calculation of Electronic Structure of High Tc Superconductor: La–Sr–Cu–O Systems

Kenji Siraishi, Atsushi Oshiyama, Nobuyuki Shima, Takashi Nakayama, Riichiro Saito, Hiroshi Kamimura

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Spin-polarized band structures of high Tc La–Sr–Cu–O compounds are first calculated by a self-consistent nonlocal pseudopotential method in the local spin density (LSD) functional formalism where the basis set is expanded in terms of gaussian orbitals. The calculated results show that a spin polarization occurs in this system. The obtained difference of the total numbers of the upper and lower spins in this calculation is 0.4. This result suggests that the electron-electron interactions in the conduction bands are important for high Tc superconductivity, but no so strong compared with the concept of the ordinary Hubbard model.

Original languageEnglish
Pages (from-to)983-984
Number of pages2
JournalJapanese journal of applied physics
Issue numberS3-2
Publication statusPublished - 1987 Jan

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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