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J-GLOBAL ID：201902212990701504   Reference number：19A1472974

First-principles study of phonon anharmonicity and negative thermal expansion in [Formula : see text]

[数式:原文を参照]におけるフォノン非調和性と負の熱膨張の第一原理研究【JST・京大機械翻訳】

Author (6)： Oba Yusuke (Department of Physics, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033, Japan) ,  Tadano Terumasa (International Center for Young Scientists (ICYS), National Institute for Materials Science, Tsukuba 305-0047, Japan) ,  Tadano Terumasa (Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science, Tsukuba 305-0047, Japan) ,  Akashi Ryosuke (Department of Physics, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033, Japan) ,  Tsuneyuki Shinji (Department of Physics, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033, Japan) ,  Tsuneyuki Shinji (Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan)
Material： Physical Review Materials
Volume： 3  Issue： 3  Page： 033601  Publication year： 2019 
JST Material Number： W3690A  ISSN： 2475-9953  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： The microscopic origin of the ...

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Thesaurus term： temperature dependence ,  density functional method ,  thermal expansion coefficient ,  *phonon ,  perturbation ,  soft mode ,  robustness ,  *first principle ,  thermodynamic property ,  free energy ,  high temperature
Semi thesaurus term： 準調和近似 ,  自由エネルギー計算 ,  *負の熱膨張 ,  *非調和性 , 【Automatic Indexing@JST】

JST classification (1)： Phonons and lattice vibrations in crystals  (BL03020Z)

Terms in the title (7)： 数式 ,  参照 ,  フォノン ,  非調和性 ,  負の熱膨張 ,  第一原理 ,  研究