| アイテムタイプ |
学術雑誌論文 / Journal Article(1) |
| 公開日 |
2024-09-27 |
| タイトル |
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タイトル |
Finite temperature effects on the structural stability of Si-doped HfO2 using first-principles calculations |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプ |
journal article |
| アクセス権 |
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アクセス権 |
open access |
| 著者 |
原嶋, 庸介
Koga, Hiroaki
Ni, Zeyuan
Yonehara, Takehiro
Katouda, Michio
Notake, Akira
Matsui, Hidefumi
Moriya, Tsuyoshi
Si, Mrinal Kanti
Hasunuma, Ryu
Uedono, Akira
Shigeta, Yasuteru
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| 抄録 |
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内容記述タイプ |
Abstract |
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内容記述 |
The structural stabilities of the monoclinic and tetragonal phases of Si-doped HfO2 at finite temperatures were analyzed using a computational scheme to assess the effects of impurity doping. We proposed a method that the finite temperature effects, i.e., lattice vibration and impurity configuration effects, are considered. The results show that 6% Si doping stabilizes the tetragonal phase at room temperature, although a higher concentration of Si is required to stabilize the tetragonal phase at zero temperature. These data indicate that lattice vibration and impurity configuration effects are important factors determining structural stability at finite temperatures. |
| 書誌情報 |
en : Applied Physics Letters
巻 122,
号 26,
発行日 2023-06-29
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| 出版者 |
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出版者 |
American Institute of Physics |
| ISSN |
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収録物識別子タイプ |
EISSN |
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収録物識別子 |
1077-3118 |
| 出版者版DOI |
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関連タイプ |
isReplacedBy |
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識別子タイプ |
DOI |
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関連識別子 |
https://doi.org/10.1063/5.0153188 |
| 権利 |
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権利情報Resource |
http://creativecommons.org/licenses/by/4.0/ |
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権利情報 |
C 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
| 著者版フラグ |
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出版タイプ |
NA |
