The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes

Tomofumi Tada, Yuriko Aoki, Akira Imamura

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

We have already proposed a convenient method to estimate the magnitude of the Peierls instability in molecular crystals. In the present paper to examine the reliability of our treatment, we apply it to the two types of model crystals composed of naphthalene cations and chalcogen substituted ones (planar-1,4,5,8-tetrathianaphthalene [TTN]+). The results show that the chalcogen atoms in TTN molecules play an important role in the electronic conductivity. It was demonstrated that this treatment could reproduce ab initio results and become a useful tool to investigate the relationship between the crystal structure of charge-transfer complexes and their electronic conductivity.

Original languageEnglish
Pages (from-to)169-177
Number of pages9
JournalSynthetic Metals
Volume95
Issue number3
Publication statusPublished - Jun 30 1998

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Chalcogens
Molecular crystals
Naphthalene
Charge transfer
Crystal structure
Positive ions
charge transfer
Atoms
conductivity
Crystals
Molecules
electronics
naphthalene
crystals
Cations
cations
crystal structure
estimates
atoms
molecules

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes. / Tada, Tomofumi; Aoki, Yuriko; Imamura, Akira.

In: Synthetic Metals, Vol. 95, No. 3, 30.06.1998, p. 169-177.

Research output: Contribution to journalArticle

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