2010 Fiscal Year Final Research Report
First-principles approach to study on electronic and atomic dynamics and excited states of nanostructures
| Project/Area Number |
19540411
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Mathematical physics/Fundamental condensed matter physics
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| Research Institution | Tokyo University of Science |
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Principal Investigator |
WATANABE Kazuyuki Tokyo University of Science, 理学部, 教授 (50221685)
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| Co-Investigator(Kenkyū-buntansha) |
YAMAMOTO Takahiro 東京理科大学, 工学部, 講師 (30408695)
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| Co-Investigator(Renkei-kenkyūsha) |
KONABE Satoru 筑波大学, 数理科学研究科, 研究員 (40535506)
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| Project Period (FY) |
2007 – 2010
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| Keywords | 第一原理非平衡電子状態計算 / 表面・界面物性 / ナノ構造 |
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| Research Abstract |
We clarified the responses of electronic states and the effects on atoms of nano-scale structures under high laser fields or AC fields using advanced techniques based on first-principles electronic structure calculations. The conditions of applied laser parameters for molecular dissociation and surface desorption are determined. Mechanism of photo-induced electric current and Auger recombination processes of excitons in carbon nanotubes (CNTs) are elucidated. Response of CNTs to AC applied voltage is understood by modelling CNTs as an equivalent electric circuit. Finally, electric-current induced forces on atoms of nanostructures are obtained by the nonequilibrium electronic structure calculation methods.
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