Low temperature superstructure and transfer integrals in κ-(BEDT-TTF)2Cu[N(CN)2]X: X = Cl, Br

M. Watanabe, Yoshio Nogami, K. Oshima, H. Ito, T. Ishiguro, G. Saito

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Low temperature crystal structures and band parameters were presented for the deuterized (d) and the hydrogenized (h) κ-(BEDT-TTF)2Cu[N(CN)2]Cl and for deuterized κ-(BEDT-TTF)2Cu[N(CN)2]Br. An enhanced molecular dimerization was observed for the Cl salts. Theoretical prediction by H. Kino and H. Fukuyama that the molecular dimerization stabilizes the Mott insulating state was confirmed. Below 200 K, X-ray diffuse scattering study revealed formation of two dimensional a × 2c superstructure in the deuterized κ -(BEDT-TTF)2Cu[N(CN)2]Br. The structural disorder for the d-Br salt was observed in the superstructure and in the terminal ethylenes.

Original languageEnglish
Pages (from-to)1909-1910
Number of pages2
JournalSynthetic Metals
Issue number1-3
Publication statusPublished - Jun 24 1999


ASJC Scopus subject areas

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

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