2010 Fiscal Year Final Research Report
Determination of dopant levels and the design of materials functions using first-principles calculations
| Project/Area Number |
21760517
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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 |
Physical properties of metals
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| Research Institution | Kyoto University |
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Principal Investigator |
OBA Fumiyasu Kyoto University, 工学研究科, 准教授 (90378795)
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| Project Period (FY) |
2009 – 2010
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| Keywords | ドーパント / 点欠陥 / 半導体 / 第一原理計算 / 電子状態 |
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| Research Abstract |
Dopant levels play crucial roles in the control and design of materials functions. In the present study, a computational approach has been developed to quantitatively evaluate the electronic levels of dopants and native defects in semiconductors and insulators. Electrical and optical properties relevant to dopants and native defects have been predicted in various functional oxides and compound semiconductors.
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