Organic molecule-based ferrimagnetism as studied by numerical calculations of a model hamiltonian

Daisuke Shiom, Masahiro Nishizawa, Kazunobu Sato, Masaki Mito, Kazuyoshi Takeda, Takeji Takui

Research output: Contribution to journalConference articlepeer-review


A physical picture of spin alignments in organic moleculebased ferrimagnets is deduced from quantum Monte Carlo (QMC) simulations of magnetic susceptibility. It is found from the QMC calculations on the basis of a Heisenberg spin Hamiltonian that the ferrimagnetic spin alignment in S=1 and S=1/2 alternating molecular chains is equivalent to a ferromagnetic alignment of effective S=1/2 spins appearing in the unit cells of the heteromolecular chains. A spin polarization effect affording the effective ferromagnetic interactions is demonstrated in terms of a Heitler-London approximation.

Original languageEnglish
Pages (from-to)495-500
Number of pages6
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Publication statusPublished - 2002
Externally publishedYes
EventProceedings of the Interdisciplinary Symposium on Multifunctionality of Inorganic , Organic, and Their Hybrid Solids - Honolulu, HI, United States
Duration: 2000 Dec 152000 Dec 18


  • Heisenberg spin Hamiltonian
  • Magnetic susceptibility
  • Organic ferrimagnet
  • Quantum Monte Carlo simulation
  • Spin polarization

ASJC Scopus subject areas

  • Condensed Matter Physics


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