2 件のレコードが見つかりました。
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study
- ジャーナル論文
- 著者
-
Shengzhou Li (author) (この著者で検索)National Institute for Materials Science
;
Tsuyoshi Miyazaki (author) (この著者で検索)National Institute for Materials Science
;
Ayako Nakata (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Large-scale DFT, gold nanoparticle, supported nanoparticle, statistic analysis, density of states, principal component analysis, first-principles calculation
- 刊行年月日
- 2024-06-21
- 更新時刻
- 2024-08-31 08:30:29 +0900
Continuous crossover between insulating ferroelectrics and polar metals: Ab initio calculation of structural phase transitions of (, W, Re, Os)
- ジャーナル論文
- 著者
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Ryota Masuki (author) (この著者で検索)
https://orcid.org/0000-0002-5407-844X
(unauthenticated)
;
Takuya Nomoto (author) (この著者で検索)
https://orcid.org/0000-0002-4333-6773
(unauthenticated)
;
Ryotaro Arita (author) (この著者で検索)
https://orcid.org/0000-0001-5725-072X
(unauthenticated)
;
Terumasa Tadano (author) (この著者で検索)National Institute for Materials Science
- キーワード
- first-principles calculation, phonons, structural phase transition, polar metal, lattice anharmonicity
- 刊行年月日
- 2024-09-03
- 更新時刻
- 2024-09-09 16:30:30 +0900