Spin and charge fluctuations near metal-insulator transition in dimer-type molecular solid

Naomichi Sato, Tsutomu Watanabe, Makoto Naka, Sumio Ishihara

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Abstract

Spin and charge fluctuations in the vicinity of metal-to-Mott insulator transitions are studied in an organic solid with molecular dimers. The extended Hubbard model taking account of the internal electronic degree of freedom in a molecular dimer is analyzed by the variational Monte Carlo method. Three kinds of electronic phases, i.e., a metallic phase, an antiferromagnetic insulating phase, and a polar-charge ordered phase, compete with each other in the ground state. It is found that the polar-charge fluctuation is dominant in a wide range of molecular dimerization and Coulomb interaction amplitudes, and is markedly enhanced near the metal-insulator phase boundary, in which the spin fluctuation is almost unchanged. The implication for κ-type BEDT-TTF [bis(ehtylenedithio)-tetrathiafulvelene] salts is discussed.

Original languageEnglish
Article number053701
JournalJournal of the Physical Society of Japan
Volume86
Issue number5
DOIs
Publication statusPublished - 2017 May 15
Externally publishedYes

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dimers
insulators
metals
organic solids
dimerization
electronics
Monte Carlo method
degrees of freedom
salts
ground state
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Spin and charge fluctuations near metal-insulator transition in dimer-type molecular solid. / Sato, Naomichi; Watanabe, Tsutomu; Naka, Makoto; Ishihara, Sumio.

In: Journal of the Physical Society of Japan, Vol. 86, No. 5, 053701, 15.05.2017.

Research output: Contribution to journalArticle

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