Transfer integrals and the spatial pattern of charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4 at 90 K

Masashi Watanabe, Yukio Noda, Yoshio Nogami, Hatsumi Mori

Research output: Contribution to journalArticle

87 Citations (Scopus)

Abstract

θ-(BEDT-TTF)2RbZn(SCN)4 is a two-dimensional organic conductor exhibiting a metal-insulator transition at TMI = 200 K. This insulating charge ordered state below TMI was investigated by a single crystal structural analysis taking account of the superlattice formation below TMI. A large displacement (about 0.2 Å) of BEDT-TTF molecules associated with the transition was found. Transfer integrals between BEDT-TTF molecules were also calculated from the structural data. The two-dimensional net of transfer integrals above T MI was modulated into the quasi one-dimensional transfer integral chain by the superlattice formation below TMI. The ionicities of BEDT-TTF molecules are estimated from the intramolecular bond length distribution. As a result, charge disproportionation between BEDT-TTF molecules was found, and the ionicity was 0 to -1-0.2 and +0.8 to +1.0 respectively. The hole-rich sites are laid on the quasi one-dimensional transfer integral chain. We conclude that the spatial pattern of charge ordering is a stripe alternating along the c-axis.

Original languageEnglish
Pages (from-to)116-122
Number of pages7
JournalJournal of the Physical Society of Japan
Volume73
Issue number1
DOIs
Publication statusPublished - Jan 2004

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molecules
structural analysis
conductors
insulators
single crystals
metals

Keywords

  • BEDT-TTF
  • Charge ordering
  • Crystal structure
  • Metal-insulator transition
  • Organic conductor

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Transfer integrals and the spatial pattern of charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4 at 90 K. / Watanabe, Masashi; Noda, Yukio; Nogami, Yoshio; Mori, Hatsumi.

In: Journal of the Physical Society of Japan, Vol. 73, No. 1, 01.2004, p. 116-122.

Research output: Contribution to journalArticle

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