Structures and Metallic transition in Hydrogen under Ultra-High Pressure : Structures come out through Quasi-particle calculations for the electronic band structure
| Project/Area Number |
25400371
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | Osaka University (2015)
Tottori University (2013-2014) |
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Principal Investigator |
NAGARA Hitose 大阪大学, 基礎工学研究科, 教授 (10135676)
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| Co-Investigator(Renkei-kenkyūsha) |
KOTANI Takao 鳥取大学, 大学院工学研究科, 教授 (60283826)
ISHIKAWA Takahiro 大阪大学, 基礎工学研究科, 特任助教 (40423082)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2015: ¥130,000 (Direct Cost: ¥100,000、Indirect Cost: ¥30,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
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| Keywords | 金属水素 / 超高圧縮固体 / 計算物理 / GW近似計算 / 金属転移圧 / GW近似 / バンド計算 / ＧＷ近似 / バンド構造 / 構造探索 / 軽元素 |
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| Outline of Final Research Achievements |
Using the band structure calculations based on the quasi-particle picture, i.e. GW approximation, we have studied the pressure dependences of the bandgaps in hydrogen with the structures expected in the pressure range from 200GPa to 400GPa. Combined with the enthalpy data, we obatined the possible structures and their metallization pressure.
Our results show that, at pressures below 280GPa, C2/c-24 structure will be realized and it is insulating. At around 280GPa the Cmca-12 structure will replace the C2/c-24 structure, and the hydrogen becomes metallic because, the band gaps of the Cmca-12 at 280GPa are already closed at 280GPa. The Cmca-12 structure transforms into the metallic Cmca-4 structure at around 380GPa. Acording to this study, the compressed hydrogen becomes metallic by the transfomation into the Cmca-12 structure around 280 GPa, above which pressure hydrogen remains metallic.
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Report
(4 results)
Research Products
(15 results)
