2013 Fiscal Year Final Research Report
study of carrier mechanism of organic semiconductor by large scale transport calculation
| Project/Area Number |
23360018
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Thin film/Surface and interfacial physical properties
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| Research Institution | University of Tsukuba |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
ISHII Hiroyuki 筑波大学, 数理物質系, 助教 (00585127)
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| Project Period (FY) |
2011-04-01 – 2014-03-31
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| Keywords | 有機半導体 / キャリア / 伝導 / 理論 |
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| Research Abstract |
We have succeeded in theoretical calculations of charge transport in organic semiconductors from atomistic levels. We have performed first-principles calculations of electronic states of organic semiconductors to analyze intermolecular forces and thermal fluctuations of molecular motions, and show that there is a strong correlation between the carrier coherence and the thermally induced fluctuations. We have succeeded in elucidating the temperature dependence of the mobility and the mean-free path, and the effect of the trap potentials and the thermally induced fluctuations by the time dependent wave-packet diffusion method.
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