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Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure
http://hdl.handle.net/10228/00007039
http://hdl.handle.net/10228/000070393fd08acb-7825-4084-ab08-09d6345ca11e
名前 / ファイル | ライセンス | アクション |
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AIPA8_015008.pdf (2.9 MB)
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Item type | 学術雑誌論文 = Journal Article(1) | |||||||||||
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公開日 | 2019-02-19 | |||||||||||
資源タイプ | ||||||||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
資源タイプ | journal article | |||||||||||
タイトル | ||||||||||||
タイトル | Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure | |||||||||||
言語 | ||||||||||||
言語 | eng | |||||||||||
著者 |
飯久保, 智
× 飯久保, 智× Shimoyama, K.× 河野, 翔也
WEKO
23857
× Fujii, M.× Yamamoto, K.× Matsushita, M.× Shinmei, T.× Higo, Y.× Ohtani, H. |
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抄録 | ||||||||||||
内容記述タイプ | Abstract | |||||||||||
内容記述 | By combining theoretical predictions and in-situ X-ray diffraction under high pressure, we found a novel stable crystal structure of Li3PS4 under high pressures. At ambient pressure, Li3PS4 shows successive structural transitions from γ-type to β-type and from β-type to α type with increasing temperature, as is well established. In this study, an evolutionary algorithm successfully predicted the γ-type crystal structure at ambient pressure and further predicted a possible stable δ-type crystal structures under high pressure. The stability of the obtained structures is examined in terms of both static and dynamic stability by first-principles calculations. In situ X-ray diffraction using a synchrotron radiation revealed that the high-pressure phase is the predicted δ-Li3PS4 phase. | |||||||||||
書誌情報 |
AIP Advances 巻 8, 号 1, p. 015008-1-015008-9, 発行日 2018-01-09 |
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出版社 | ||||||||||||
出版者 | AIP Publishing | |||||||||||
DOI | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | DOI | |||||||||||
関連識別子 | info:doi/10.1063/1.5011401 | |||||||||||
日本十進分類法 | ||||||||||||
主題Scheme | NDC | |||||||||||
主題 | 459 | |||||||||||
ISSN | ||||||||||||
収録物識別子タイプ | ISSN | |||||||||||
収録物識別子 | 2158-3226 | |||||||||||
著作権関連情報 | ||||||||||||
権利情報 | Author(s) | |||||||||||
著作権関連情報 | ||||||||||||
権利情報 | Reproduced from https://doi.org/10.1063/1.5011401, with the permission of AIP Publishing. | |||||||||||
出版タイプ | ||||||||||||
出版タイプ | VoR | |||||||||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||
査読の有無 | ||||||||||||
値 | yes | |||||||||||
研究者情報 | ||||||||||||
https://hyokadb02.jimu.kyutech.ac.jp/html/330_ja.html | ||||||||||||
論文ID(連携) | ||||||||||||
10310114 | ||||||||||||
連携ID | ||||||||||||
6658 | ||||||||||||
資料タイプ | ||||||||||||
内容記述タイプ | Other | |||||||||||
内容記述 | Journal Article | |||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology | ||||||||||||
著者所属 | ||||||||||||
Department of Mechanical Engineering, Ehime University | ||||||||||||
著者所属 | ||||||||||||
Geodynamics Research Center, Ehime University | ||||||||||||
著者所属 | ||||||||||||
Japan Synchrotron Radiation Research Institute | ||||||||||||
著者所属 | ||||||||||||
Institute of Multidisciplinary Research for Advanced Materials, Tohoku University |