論文・データセット - MDR: NIMS Materials Data Repository

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Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-CaS (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-CaS
刊行年月日
更新時刻: 2025-10-27 16:33:05 +0900

Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-CaO (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-CaO
刊行年月日
更新時刻: 2025-10-27 16:31:06 +0900

Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-BaSe (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-BaSe
刊行年月日
更新時刻: 2025-10-27 16:30:44 +0900

Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-BaS (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-BaS
刊行年月日
更新時刻: 2025-10-27 16:31:46 +0900

Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-AgCl (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-AgCl
刊行年月日
更新時刻: 2025-10-27 16:32:14 +0900

Dataset

Phono3py input data to calculate lattice thermal conductivities for rocksalt-AgBr (PBE)

データセット
コレクション: Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)
著者: Atsushi Togo (author) (この著者で検索)

https://orcid.org/0000-0001-8393-9766

National Institute for Materials Science Center for Basic Research on Materials

NIMS Researchers Directory SAMURAI
キーワード: Phonon, rocksalt-AgBr
刊行年月日
更新時刻: 2025-10-27 16:33:13 +0900

Dataset

Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures

データセット
著者: SAHARA, Ryoji (author) (この著者で検索)

https://orcid.org/0000-0003-0788-2985

NIMS Researchers Directory SAMURAI
キーワード: Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
刊行年月日: 2020-10-15
更新時刻: 2024-01-05 22:12:16 +0900