Theoretical study on peculiar structural transition and superconductivity of elements under high pressures
| Project/Area Number |
22340106
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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 |
Condensed matter physics II
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| Research Institution | Kansai University |
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Principal Investigator |
SUZUKI Naoshi 関西大学, システム理工学部, 教授 (40029559)
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| Co-Investigator(Kenkyū-buntansha) |
ODA Tatsuki 金沢大学, 数物系科学, 教授 (30272941)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2011: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2010: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
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| Keywords | 超伝導 / 密度波 / 高圧極限物性 / 結晶構造探索 / 進化アルゴリズム / 遺伝的アルゴリズム / 第一原理分子動力学 / 貴金属 / アルカリ土類金属 / 超高圧極限物性 / 単体 / 圧力誘起構造相転移 / 圧力誘起超伝導 / 第一原理計算 / 密度汎関数理論 / 構造探索 / 分子動力学 |
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| Research Abstract |
For calcium we have succeeded in predicting new high pressure phases V and VI, and also in clarifying that the phase III with simple cubic structure thermodynamically stabilizes at the temperatures of 10-300 K. For gold, we have predicted that the fcc structure with ABC stacking of the close-packed layer transforms into the ABCACB stacking structure at around 400 GPa. By applying our first-principles genetic algorithm code we have succeeded in identifying the crystal structures of phases V and VI of yttrium. As for superconductivity of gold and its alloys we have shown that the superconducting transition temperature TC of pure gold is quite low (～0.04 μK), but by alloying gold with indium TC dramatically increases to 0.1K for Au_<0.875>In_<0.125>.
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Report
(4 results)
Research Products
(68 results)
