2010 Fiscal Year Final Research Report
Computational design of functional nanoscale interface using first-principles calculation
| Project/Area Number |
20710078
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Nanostructural science
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| Research Institution | Osaka University |
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Principal Investigator |
ONO Tomoya Osaka University, 工学研究科, 助教 (80335372)
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| Project Period (FY) |
2008 – 2010
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| Keywords | 第一原理計算 / 電子輸送特性 / 表面・界面 |
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| Research Abstract |
The calculation method and code for electron-transport properties through nanostructures based on density functional theory have been developed. The relationship between the presence of defects at the stacking structure of the Si/SiO_2 interface and leakage current is theoretically studied using the newly developed code. I found that the leakage current through the interface with dangling bonds is 530 times larger than that without any defects, which is expected to lead to dielectric breakdown. The direction of the dangling bonds is closely related to the performance of the oxide as an insulator. In addition, it is proved that the termination of the dangling bonds by hydrogen atoms is effective for reducing the leakage current.
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