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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| s41524-018-0063-1.pdf | 2.23 MB | Adobe PDF | 見る/開く |
| タイトル: | Temperature-dependent phonon spectra of magnetic random solid solutions |
| 著者: | Ikeda, Yuji Körmann, Fritz Dutta, Biswanath Carreras, Abel Seko, Atsuto    https://orcid.org/0000-0002-2473-3837 (unconfirmed)Neugebauer, Jörg Tanaka, Isao https://orcid.org/0000-0002-4616-118X (unconfirmed) |
| 著者名の別形: | 池田, 裕治 世古, 敦人 田中, 功 |
| 発行日: | 28-Feb-2018 |
| 出版者: | Springer Nature |
| 誌名: | npj Computational Materials |
| 巻: | 4 |
| 論文番号: | 7 |
| 抄録: | A first-principles-based computational tool for simulating phonons of magnetic random solid solutions including thermal magnetic fluctuations is developed. The method takes fluctuations of force constants due to magnetic excitations as well as due to chemical disorder into account. The developed approach correctly predicts the experimentally observed unusual phonon hardening of a transverse acoustic mode in Fe–Pd an Fe–Pt Invar alloys with increasing temperature. This peculiar behavior, which cannot be explained within a conventional harmonic picture, turns out to be a consequence of thermal magnetic fluctuations. The proposed methodology can be straightforwardly applied to a wide range of materials to reveal new insights into physical behaviors and to design materials through computation, which were not accessible so far. |
| 著作権等: | © The Author(s) 2018. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
| URI: | http://hdl.handle.net/2433/234600 |
| DOI(出版社版): | 10.1038/s41524-018-0063-1 |
| 出現コレクション: | 学術雑誌掲載論文等 |
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