2013 Fiscal Year Final Research Report
Development and application of a time-dependent electron-transport simulator
| Project/Area Number |
24710152
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Microdevices/Nanodevices
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| Research Institution | Hokkaido University |
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Principal Investigator |
EGAMI Yoshiyuki 北海道大学, 工学(系)研究科(研究院), 助教 (20397631)
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| Project Period (FY) |
2012-04-01 – 2014-03-31
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| Keywords | 第一原理計算 / 電子輸送特性 / 時間依存密度汎関数法 / Impulse Response法 / 理論物性物理 |
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| Research Abstract |
First-principles electron-transport property simulator based on the time-dependent density functional theory has been developed to demonstrate the dynamic behavior of flowing electrons through nanostructures and explore the suitable materials for novel electronic devices. In this study, the response times of transmission peaks in the conduction channels were compared. It has been found that the contribution to electron transporting can be ignore since the response time of the channel is enough long in the organic molecular chain systems. Moreover, the response time can be affected by change in the conformation of molecule or the condition of interface between the molecule and electrodes.
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