2017 Fiscal Year Final Research Report
Development of Materials Informatics to Predict Polarization at Oxide Hetero-Interfaces
| Project/Area Number |
15H03979
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Electronic materials/Electric materials
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| Research Institution | Waseda University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
KITA Koji 東京大学, 大学院・工学系研究科, 准教授 (00343145)
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| Research Collaborator |
FEI Jiayang
HASHIMOTO Shuichiro
TOMITA Motohiro
SHIMURA Kosuke
KUNUGI Ryota
NAKANE Koki
NAKAGAWA Nobuhiro
TAKAHASHI Okuto
PEREA CAUSIN Marc
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Keywords | 電子・電気材料 / 計算物理 / 表面・界面物性 / ナノ材料 |
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| Outline of Final Research Achievements |
The high-k dielectrics gate stack, which was introduced into the Si-CMOS technology, possesses a problem of electric dipole layer formation. In this research, the origin of the electric dipole layer at oxide hetero-interfaces was investigated by means of molecular dynamics simulation together with experimental methods. The oxygen-density-difference-accommodation mechanism was found to be caused by the repulsive interaction between ionic cores of oxygen ions. Furthermore, the migration of metal cation was found to be another important factor to determine the orientation and magnitude of the dipole. This research addressed a heuristic approach using neural networks, and that was found to be useful to predict the magnitude and orientation of the dipole at the oxide hetero-interfaces.
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| Free Research Field |
電子材料工学
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