Theory of the Neutral-Ionic Transition in TTF-Chloranil
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- Kojyo Norimichi
- Department of Physics, Tokyo Metropolitan University
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- Onodera Yoshitaka
- Department of Physics, Tokyo Metropolitan University
書誌事項
- タイトル別名
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- Theory of the Neutral Ionic Transition
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A new mechanism of the neutral-ionic transition in TTF-chloranil is presented, through which we derive the temperature-induced transition as a statistical mechanically cooperative phenomenon, without supposing the lattice thermal contraction. We take into account the coulomb interaction up to second nearest-neighbors within a chain, the spin degeneracy of the ionic molecular state, as well as the quantum-mechanical charge transfer. In addition, the inter-chain coulomb interaction is considered in the mean field approximation. The free energy approximately calculated as a function of the degree of ionicity shows that at low temperatures the ionic phase becomes lower owing to a large splitting of the spin degeneracy caused by a strong mixing of the neutral and ionic states, whereas at room temperature the neutral phase is lower owing to the electrostatic energy balance.
収録刊行物
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 56 (9), 3228-3239, 1987
一般社団法人 日本物理学会
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詳細情報 詳細情報について
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- CRID
- 1390001204187376896
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- NII論文ID
- 110001976325
- 130003740003
- 210000093551
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- NII書誌ID
- AA00704814
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- BIBCODE
- 1987JPSJ...56.3228K
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- COI
- 1:CAS:528:DyaL2sXmsVOltbc%3D
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 3139631
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可