Atomic scale modification from first-principles thermodynamics
| Project Area | Nano Materials Science for Atomic Scale Modification |
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| Project/Area Number |
19053005
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Kyoto University |
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Principal Investigator |
TANAKA Isao 京都大学, 大学院・工学研究科, 教授 (70183861)
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| Co-Investigator(Kenkyū-buntansha) |
TERASHIMA Takahito 京都大学, 低温物質科学研究センター, 教授 (40252506)
OHTANI Hiroshi 九州工業大学, 大学院・工学研究院, 教授 (70176923)
MATSUNAGA Katsuyuki 名古屋大学, 大学院・工学研究科, 教授 (20334310)
YOSHIYA Masato 大阪大学, 大学院・工学研究科, 淳教授 (00399601)
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| Project Period (FY) |
2007 – 2011
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| Project Status |
Completed (Fiscal Year 2011)
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| Budget Amount *help |
¥122,000,000 (Direct Cost: ¥122,000,000)
Fiscal Year 2011: ¥14,700,000 (Direct Cost: ¥14,700,000)
Fiscal Year 2010: ¥31,300,000 (Direct Cost: ¥31,300,000)
Fiscal Year 2009: ¥21,300,000 (Direct Cost: ¥21,300,000)
Fiscal Year 2008: ¥34,300,000 (Direct Cost: ¥34,300,000)
Fiscal Year 2007: ¥20,400,000 (Direct Cost: ¥20,400,000)
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| Keywords | 機能元素 / 第一原理計算 / 統計熱力学 / 表面 / 界面 / 状態図 / 自由エネルギー / 表面・界面 |
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| Research Abstract |
Functional elements play a determinantal role in the superb properties of advanced materials. In this study we developed a computational approach based on the state-of-the-art first-principles thermodynamics, which allows us to accurately determine and design the local environments and electronic structure of functional elements in materials under given temperature, pressure, and chemical potentials. Through the applications of this approach to a wide variety of materials, we systematized the nature of functional elements and established a new concept in materials developments.
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Report
(7 results)
Research Products
(128 results)
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[Journal Article] Crystal and Electronic Structure and Magnetic Properties of Divalent Europium Perovskite Oxides EuMO3 (M=Ti, Zr, and Hf) : Experimental and First-Principles Approaches2014
Author(s)
H. Akamatsu, K. Fujita, H. Hayashi, T. Kawamoto, Y. Kumagai, Y. Zong, K. Iwata, P. Oba, I. Tanaka, K. Tanaka
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Journal Title
Inorganic Chemistry
Volume: 51
Issue: 8
Pages: 4560-4567
DOI
Related Report
Peer Reviewed
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[Journal Article] Extremely strong-coupling superconductivity in artificial two-dimensional Kondo lattices2011
Author(s)
Y. Mizukami, H. Shishido, T. Shibauchi, M. Shimozawa, S. Yasumoto, D. Watanabe, M. Yamashita, H. Ikeda, T. Terashima, H. Kontani, Y. Matsuda
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Journal Title
NATURE PHYSICS
Volume: 7
Pages: 849-853
Related Report
Peer Reviewed
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[Journal Article] Microwave Surface-Impedance Measurements of the Magnetic Penetration Depth in Single Crystal Ba1-xKxFe2As2 Superconductors: Evidence for a Disorder-Dependent Superfluid Density2009
Author(s)
K. Hashimoto, T. Shibauchi, S. Kasahara, K. Ikada, S. Tonegawa, T. Kato, R. Okazaki, C. J. V.D. Beek, M. Konczykowski, H. Takeya, K. Hirata, T. Terashima and Y. Matsuda
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Journal Title
PHYS. REV. LETT.
Volume: 102[20]
Pages: 207001-207001
Related Report
Peer Reviewed
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