Shaping Maximally Localized Wannier Functions via Discrete Adiabatic Transport
- ジャーナル論文
- 著者
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;Yuji Hamai (author) (この著者で検索)Katsunori Wakabayashi (author) (この著者で検索)
https://orcid.org/0000-0002-9147-9939
(unauthenticated)
National Institute for Materials Science
- キーワード
- Wannier function, maximally localized Wannier function, density functional theory, adiabatic transport theory, Berry phase, Zak phase, Wilson loop
- 刊行年月日
- 2026-07-15
- 更新時刻
- 2026-06-16 11:13:40 +0900
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
- ジャーナル論文
- 著者
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Arkapol Saengdeejing (author) (この著者で検索)National Institute for Materials Science
;
Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
Yoshiaki Toda (author) (この著者で検索)National Institute for Materials Science
- キーワード
- CALPHAD, density functional theory, SQS, first principles, thermodynamic database, Al-Nb-Ni
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2024-12-05 12:47:48 +0900
Computational material screening for electrode materials of BaSi2 solar cells
- ジャーナル論文
- 著者
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;Tomoaki Yazaki (author) (この著者で検索)University of Yamanashi a Center for Crystal Science and Technology;Keisuke Arimoto (author) (この著者で検索);Junji Yamanaka (author) (この著者で検索)Kosuke O. Hara (author) (この著者で検索)
- キーワード
- Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
- 刊行年月日
- 2026-12-31
- 更新時刻
- 2026-03-07 12:30:04 +0900
Nanoscale Origin of Strong Charge Carrier Scattering at Grain Boundaries in Orthorhombic SnSe Semiconductor Thin Films
- ジャーナル論文
- 著者
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;Xinyi He (author) (この著者で検索);Kenji Matsuo (author) (この著者で検索)Takayoshi Katase (author) (この著者で検索)
https://orcid.org/0000-0002-2593-7487
(unauthenticated)
;
Kota Hanzawa (author) (この著者で検索)
https://orcid.org/0000-0002-0995-9360
(unauthenticated)
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;Hideto Yoshida (author) (この著者で検索)Shigenori Ueda (author) (この著者で検索)
;
Hidenori Hiramatsu (author) (この著者で検索)
https://orcid.org/0000-0002-5664-5831
(unauthenticated)
;
Hideo Hosono (author) (この著者で検索)
;
Toshio Kamiya (author) (この著者で検索)
- キーワード
- tin selenide, thermoelectric material, epitaxial film, carrier transport, defect, density functional theory
- 刊行年月日
- 2025-04-25
- 更新時刻
- 2025-05-15 08:38:54 +0900
Thermoelectric properties of marcasite-type compounds MSb2 (M = Ta, Nb): a combined experimental and computational study
- ジャーナル論文
- 著者
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;Shamim Sk (author) (この著者で検索)Naoki Sato (author) (この著者で検索)
;
Takao Mori (author) (この著者で検索)
- キーワード
- Thermoelectric properties, density functional theory, electronic structure, electron and hole pockets, semi-classical Boltzmann theory, power factor
- 刊行年月日
- 2025-03-31
- 更新時刻
- 2026-02-18 12:30:04 +0900