2016 Fiscal Year Annual Research Report
First-principle device simulation
| Project/Area Number |
15H06889
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| Research Institution | National Institute of Advanced Industrial Science and Technology |
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Principal Investigator |
Buerkle Marius 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センタ, 研究員 (00756661)
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| Project Period (FY) |
2015-08-28 – 2017-03-31
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| Keywords | DFT / Device Simulations |
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| Outline of Annual Research Achievements |
We developed a order-N method for large scale atomistic device simulations which as been validated and applied to various systems and materials.
Using large-scale computational simulations we studied: 1)Transport based on an order-N DFT method for large channel devices. 2)Phonon transport using a first principles approach. 3)Comparing our first principles transport calculations with molecular conductance measurements obtained from scanning tunneling break junction experiments.
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| Research Progress Status |
28年度が最終年度であるため、記入しない。
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| Strategy for Future Research Activity |
28年度が最終年度であるため、記入しない。
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