Valence electron concentration-dependent stability of L1, D023, and D022 ordered phases in high-entropy alloys
- ジャーナル論文
- 著者
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;Hiroshi Mizuseki (author) (この著者で検索)Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
Kenta Hongo (author) (この著者で検索)
https://orcid.org/0000-0002-2580-0907
(unauthenticated)
National Institute for Materials Science
- キーワード
- Semi-ordered atomic arrangements, Multicomponent alloys, Multi-principal element alloys, Order–disorder competition, First-principles calculations
- 刊行年月日
- 2025-07-23
- 更新時刻
- 2025-12-24 16:16:53 +0900
Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO<sub>2</sub> Revealed by First-principles Calculations
- ジャーナル論文
- 著者
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;Shungo Arai (author) (この著者で検索);Koji Shimizu (author) (この著者で検索)Anh Khoa Augustin Lu (author) (この著者で検索)National Institute for Materials Science
;
;Hiroshi Masuda (author) (この著者で検索);Hidehiro Yoshida (author) (この著者で検索)Satoshi Watanabe (author) (この著者で検索)
- キーワード
- Born effective charges, First-principles calculations, Grain Boundary
- 刊行年月日
- 2025-08-23
- 更新時刻
- 2026-05-01 15:27:40 +0900
Crystal Structure and Physical Properties of Au4Al-Type Suboxides in the Ti–Rh–Si–O and Ti–Ir–Si–O Systems
- ジャーナル論文
- 著者
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Zhijun Li (author) (この著者で検索)
;
;Xun Kang (author) (この著者で検索)Xuan Liang (author) (この著者で検索)
;
Alexei A. Belik (author) (この著者で検索)
;
Masao Arai (author) (この著者で検索)
;
Kazunari Yamaura (author) (この著者で検索)
;
;Rintaro Oshikiri (author) (この著者で検索);Asuka Ishikawa (author) (この著者で検索);Takafumi D. Yamamoto (author) (この著者で検索);Shintaro Suzuki (author) (この著者で検索)Ryuji Tamura (author) (この著者で検索)
- キーワード
- Au4Al-type structure, Oxygen-stabilized alloys, Noncentrosymmetric materials, Multiband metallicity, Synchrotron X-ray diffraction, Ti3RhSiO and Ti3IrSiO, First-principles calculations
- 刊行年月日
- 2025-03-17
- 更新時刻
- 2026-03-05 16:30:21 +0900
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
- ジャーナル論文
- 著者
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Takao Tsumuraya (author) (この著者で検索)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
;
Tsuyoshi Miyazaki (author) (この著者で検索)
;
Hitoshi Seo (author) (この著者で検索)
- キーワード
- First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
- 刊行年月日
- 2024-12-15
- 更新時刻
- 2024-11-21 16:30:38 +0900