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

Tomofumi Tada, Yuriko Aoki, Akira Imamura

研究成果: Contribution to journalArticle

8 被引用数 (Scopus)

抄録

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.

本文言語英語
ページ(範囲)169-177
ページ数9
ジャーナルSynthetic Metals
95
3
DOI
出版ステータス出版済み - 6 30 1998
外部発表はい

All Science Journal Classification (ASJC) codes

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

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