Theoretical study on ferromagnetic interaction in stacked diphenylcarbene polymer

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

Research output: Contribution to journalArticle

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 - Jan 1 1991
Externally publishedYes

Fingerprint

Polymers
polymers
pitch (inclination)
interactions
Electronic structure
Conformations
Magnetic properties
electronic structure
magnetic properties
Derivatives
orbitals
Crystals
crystals

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Theoretical study on ferromagnetic interaction in stacked diphenylcarbene polymer. / Tanaka, Kazuyoshi; Takeuchi, Tomonari; Yoshizawa, Kazunari; Toriumi, Michio; Yamabe, Tokio.

In: Synthetic Metals, Vol. 44, No. 1, 01.01.1991, p. 1-8.

Research output: Contribution to journalArticle

Tanaka, Kazuyoshi ; Takeuchi, Tomonari ; Yoshizawa, Kazunari ; Toriumi, Michio ; Yamabe, Tokio. / Theoretical study on ferromagnetic interaction in stacked diphenylcarbene polymer. In: Synthetic Metals. 1991 ; Vol. 44, No. 1. pp. 1-8.
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