Crystal Structure and Physical Properties of Au4Al-Type Suboxides in the Ti–Rh–Si–O and Ti–Ir–Si–O Systems
- Journal article
- Creator
-
Zhijun Li (author) (Search by this author)
;
;Xun Kang (author) (Search by this author)Xuan Liang (author) (Search by this author)
;
Alexei A. Belik (author) (Search by this author)
;
Masao Arai (author) (Search by this author)
;
Kazunari Yamaura (author) (Search by this author)
;
;Rintaro Oshikiri (author) (Search by this author);Asuka Ishikawa (author) (Search by this author);Takafumi D. Yamamoto (author) (Search by this author);Shintaro Suzuki (author) (Search by this author)Ryuji Tamura (author) (Search by this author) - Keyword
- Au4Al-type structure, Oxygen-stabilized alloys, Noncentrosymmetric materials, Multiband metallicity, Synchrotron X-ray diffraction, Ti3RhSiO and Ti3IrSiO, First-principles calculations
- Date published
- 2025-03-17
- Updated at
- 2026-03-05 16:30:21 +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
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;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