Theoretical study on ferromagnetic interaction in stacked diphenylcarbene polymer

Kazuyoshi Tanaka, Tomonari Takeuchi, Kazunari Yoshizawa, Michio Toriumi, Tokio Yamabe

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)

Abstract

The electronic structure and the magnetic property of stacked diphenylcarbene polymer have been theoretically studied using the unrestricted Hartree-Fock crystal orbital method. It has been revealed that the ferromagnetic interplane interaction is anticipated for the translation pitch angles of θ=60° and 180° to give ferromagnetic array throughout the polymer in contrast with the antiferromagnetic interaction for θ = 120°. Futhermore, more realistic polymer conformation based on the observed polycrystalline structure of diphenylcarbene derivatives was also examined.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalSynthetic Metals
Volume44
Issue number1
DOIs
Publication statusPublished - Jul 1991
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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