Charge-Injection Effects in a Single 4,4"-Terphenyldithiol Molecule
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- Uchida Kazuyuki
- NTT Basic Research Laboratories, NTT Corporation
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- Kageshima Hiroyuki
- NTT Basic Research Laboratories, NTT Corporation
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- Inokawa Hiroshi
- NTT Basic Research Laboratories, NTT Corporation
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説明
The effects of charge injections into a single 4,4″-terphenyldithiol molecule were investigated using density-functional calculations. It is shown that the atomic structures of the molecule are remarkably modified by electron or hole injections into it. Strengthening and weakening of the C–C and C–S π-bonds brought about by the charge injections are closely associated with these structural modifications. Analyses of the wave functions of the highest occupied molecular orbital (HOMO) and the lowest un-occupied molecular orbital (LUMO), especially those on the arrangements of the nodes and loops of them, help our understanding of such modulations of the bond orders. It is also shown that the energies required for charging the molecule are considerably affected by these deformations. These results suggest the importance of the electron–lattice interactions in the current conduction due to the single-electron tunneling through the 4,4″-terphenyldithiol molecular single-electron island.
収録刊行物
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- Japanese Journal of Applied Physics
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Japanese Journal of Applied Physics 44 (12), 8759-8763, 2005
The Japan Society of Applied Physics
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詳細情報 詳細情報について
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- CRID
- 1390001206268084864
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- NII論文ID
- 10016959908
- 130004533011
- 210000059222
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- NII書誌ID
- AA10457675
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- ISSN
- 13474065
- 00214922
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- NDL書誌ID
- 7749266
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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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- KAKEN
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- 抄録ライセンスフラグ
- 使用不可