Theory of impurity-atom defects in organic semiconductors based on by the first-principles calculations
| Project/Area Number |
26400310
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Condensed matter physics I
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| Research Institution | Chiba University |
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Principal Investigator |
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
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| Keywords | 有機半導体 / 第一原理計算 / 不純物欠陥 / 金属クラスター / 原子間相互作用 / 不純物分布 / 吸着構造 / 励起子散乱 / 欠陥準位 / 相互作用 / クラスター / 不純物散乱 / キャリア伝導 / PTCDA / ペンタセン / 次元依存性 / パイエルス転移 |
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| Outline of Final Research Achievements |
Atomic configuration and electronic structures of impurity metal atoms in organic semiconductors have been studied by using the first-principles quantum mechanical calculations. This project has clarified that there exist two kinds of atoms, one of which produces scattered distribution in semiconductors and the other of which produces atom clusters between organic molecules. In addition, we showed that the former atoms are always ionized and degrade the carrier mobility, while the latter atoms easily release electrons and promote tunneling leakage currents. These results bring not only the marked progress in defect physics of organic systems but also the valuable compass for developments of future devices.
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Report
(4 results)
Research Products
(38 results)
