Valence electron concentration-dependent stability of L1, D023, and D022 ordered phases in high-entropy alloys
- Journal article
- Creator
-
;Hiroshi Mizuseki (author) (Search by this author)Ryoji Sahara (author) (Search by this author)National Institute for Materials Science
;
Kenta Hongo (author) (Search by this author)
https://orcid.org/0000-0002-2580-0907
(unauthenticated)
National Institute for Materials Science
- Keyword
- Semi-ordered atomic arrangements, Multicomponent alloys, Multi-principal element alloys, Order–disorder competition, First-principles calculations
- Date published
- 2025-07-23
- Updated at
- 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
- Journal article
- Creator
-
;Shungo Arai (author) (Search by this author);Koji Shimizu (author) (Search by this author)Anh Khoa Augustin Lu (author) (Search by this author)National Institute for Materials Science
;
;Hiroshi Masuda (author) (Search by this author);Hidehiro Yoshida (author) (Search by this author)Satoshi Watanabe (author) (Search by this author)
- Keyword
- Born effective charges, First-principles calculations, Grain Boundary
- Date published
- 2025-08-23
- Updated at
- 2026-05-01 15:27:40 +0900
Effectiveness of fluorine termination at nitrogen vacancies inside gallium nitride crystals based on first-principles calculations
- Journal article
- Creator
-
Yuki Fujishiro (author) (Search by this author)
https://orcid.org/0009-0006-7436-2911
(unauthenticated)
;
Tomoe Yayama (author) (Search by this author)
https://orcid.org/0000-0002-5708-8723
(unauthenticated)
;
Takahiro Nagata (author) (Search by this author)
;
Toyohiro Chikyow (author) (Search by this author)
;
Fumiko Akagi (author) (Search by this author)
https://orcid.org/0000-0003-4934-8465
(unauthenticated)
- Keyword
- Gallium nitride, First-principles calculations, Fluorine termination, Nitrogen vacancies
- Date published
- 2026-02-28
- Updated at
- 2026-04-03 10:13:47 +0900