2011 Fiscal Year Final Research Report
First-principles simulation of self-organized nano-structures with many-body interactions
| Project/Area Number |
22740256
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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 |
Mathematical physics/Fundamental condensed matter physics
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| Research Institution | Osaka University |
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Principal Investigator |
SATO Kazunori 大阪大学, 基礎工学研究科, 特任准教授(常勤) (60379097)
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| Project Period (FY) |
2010 – 2011
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| Keywords | 第一原理計算 / 自己組織化 / 半導体スピントロニクス |
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| Research Abstract |
Ab initio multi-scale simulator has been developed to simulate self-organization in alloys. From～50total energies of super-cells,～10cluster interactions are estimated. These interactions are used in the Monte Carlo simulation of self-organization. The formation of GP-zone in AlCu alloy was successfully reproduced by the simulator. This method can be used not only for the metallic systems but also for alloy semiconductors, thus we can apply it to the design of energy transfer materials such as solar cell materials.
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[Journal Article] First-Principles Theory of Dilute Magnetic Semiconductors2010
Author(s)
K. Sato, L. Bergqvist, J. Kudrnovsky, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida V. A. Dinh, T. Fukushima, H. Kizaki and R. eller
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Journal Title
Rev. Mod. Phys.
Volume: 82
Pages: 1633-1690
Peer Reviewed
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