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First-principles calculation (11)
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キーワード: First-principles calculation
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11 件のレコードが見つかりました。
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)
ジャーナル論文
著者
Jincheng Yue
(author) (
この著者で検索
)
Jincheng Yue
;
Yanhui Liu
(author) (
この著者で検索
)
Yanhui Liu
;
Wenling Ren
(author) (
この著者で検索
)
Wenling Ren
;
Shuyao Lin
(author) (
この著者で検索
)
Shuyao Lin
;
Chen Shen
(author) (
この著者で検索
)
Chen Shen
;
Harish Kumar Singh
(author) (
この著者で検索
)
Harish Kumar Singh
;
Tian Cui
(author) (
この著者で検索
)
Tian Cui
;
Terumasa Tadano
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8132-2161
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Hongbin Zhang
(author) (
この著者で検索
)
Hongbin Zhang
キーワード
Antiperovskite
,
First-principles calculation
,
Four-phonon scattering
,
Self-consistent phonon theory
,
Thermoelectric properties
,
Anharmonicity
刊行年月日
2024-01-25
更新時刻
2026-01-24 12:30:21 +0900
キーワード
First-principles calculation
(11)
Surface energy
(2)
Wulff construction
(2)
Absorption energy
(1)
Anharmonicity
(1)
Antiperovskite
(1)
Austenitic alloy
(1)
CompES-X
(1)
Compound semiconductor
(1)
Curie temperature
(1)
Debye model
(1)
Deformation mechanism
(1)
Diamond
(1)
Energy loss function
(1)
Four-phonon scattering
(1)
Grain boundary segregation
(1)
Heusler alloys
(1)
Hydrogen
(1)
Inelastic mean free paths
(1)
Machine-learning potential
(1)
Magnesium alloy
(1)
Magnetic anisotropy energy
(1)
Metal nanoparticle
(1)
Metal nanoparticles
(1)
Occupancy
(1)
Optical constant
(1)
Phonon
(1)
Plane index
(1)
Self-consistent phonon theory
(1)
Sommerfeld model
(1)
Thermal conductivity
(1)
Thermoelectric properties
(1)
Transfer learning
(1)
Winterbottom construction
(1)
atomic simulation
(1)
quasi-harmonic vibrational contribution
(1)
titanium alloys
(1)
toolkit
(1)
RDEメタデータ定義
RDE送り状
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