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

Tomofumi Tada; Yuriko Aoki; Akira Imamura

doi:10.1016/s0379-6779(98)00047-2

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 journal › Article › peer-review

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 language	English
Pages (from-to)	169-177
Number of pages	9
Journal	Synthetic Metals
Volume	95
Issue number	3
DOIs	https://doi.org/10.1016/s0379-6779(98)00047-2
Publication status	Published - Jun 30 1998
Externally published	Yes

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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10.1016/s0379-6779(98)00047-2

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title = "The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes",

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.",

author = "Tomofumi Tada and Yuriko Aoki and Akira Imamura",

note = "Funding Information: This work was supported by a Grant-in-Aid for Scientific Research from the Ministry of Education of Japan. Y.A. is grateful to the Hayashi Research Foundation for Woman Natural Scientists for its financial support of this work. She also gratefully acknowledges partial financial support from the Yamada Science Foundation.",

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doi = "10.1016/s0379-6779(98)00047-2",

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T1 - The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes

AU - Tada, Tomofumi

AU - Aoki, Yuriko

AU - Imamura, Akira

N1 - Funding Information: This work was supported by a Grant-in-Aid for Scientific Research from the Ministry of Education of Japan. Y.A. is grateful to the Hayashi Research Foundation for Woman Natural Scientists for its financial support of this work. She also gratefully acknowledges partial financial support from the Yamada Science Foundation.

PY - 1998/6/30

Y1 - 1998/6/30

N2 - 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.

AB - 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.

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JO - Synthetic Metals

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

Abstract

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