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

doi:10.1080/10587250210757

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 journal › Conference article › peer-review

Abstract

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 language	English
Pages (from-to)	495-500
Number of pages	6
Journal	Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume	376
DOIs	https://doi.org/10.1080/10587250210757
Publication status	Published - 2002 Dec 1
Event	Proceedings of the Interdisciplinary Symposium on Multifunctionality of Inorganic , Organic, and Their Hybrid Solids - Honolulu, HI, United States Duration: 2000 Dec 15 → 2000 Dec 18

Keywords

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

ASJC Scopus subject areas

Condensed Matter Physics

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Organic molecule-based ferrimagnetism as studied by numerical calculations of a model hamiltonian. / Shiom, Daisuke; Nishizawa, Masahiro; Sato, Kazunobu; Mito, Masaki; Takeda, Kazuyoshi; Takui, Takeji.

In: Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, Vol. 376, 01.12.2002, p. 495-500.

Research output: Contribution to journal › Conference article › peer-review

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abstract = "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.",

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AU - Shiom, Daisuke

AU - Nishizawa, Masahiro

AU - Sato, Kazunobu

AU - Mito, Masaki

AU - Takeda, Kazuyoshi

AU - Takui, Takeji

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N2 - 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.

AB - 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.

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KW - Organic ferrimagnet

KW - Quantum Monte Carlo simulation

KW - Spin polarization

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