2013 Fiscal Year Final Research Report
Theory of atom diffusion and structural stability of metal/semiconductor interfaces: from inorganic to organic systems
| Project/Area Number |
23540361
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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 |
NAKAYAMA Takashi 千葉大学, 理学(系)研究科(研究院), 教授 (70189075)
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| Project Period (FY) |
2011 – 2013
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| Keywords | 金属／半導体界面 / 第一原理計算 / 原子拡散 / 混晶化 / 構造安定性 / 界面欠陥 / 金属誘起ギャップ状態 / 有機半導体 |
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| Research Abstract |
Atom diffusion and structural stability of metal/inorganic and organic semiconductor interfaces have been studied by using the first-principles quantum mechanical calculations. This project has clarified what causes the atom diffusion, what is the important factor to classify the interface-atom mixing and the compound formation, and how the Schottky barrier changes by the interface defects. Based on these results, we constructed a new theory connecting the stability of interface and the origin of Schottky barrier formation.
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