キーワード: DFT

13 件のレコードが見つかりました。

2D_semiconductors_2022_07_23_SizeReduced.pdf
High-Throughput Computational Screening of Two-Dimensional Semiconductors
ジャーナル論文
著者
Vei Wang (author) (この著者で検索)
Xi’an University of Technology
;
Gang Tang (author) (この著者で検索)
Beijing Institute of Technology
;
Ya-Chao Liu (author) (この著者で検索)
Xi’an University of Technology
;
Ren-Tao Wang (author) (この著者で検索)
Xi’an University of Technology
;
Hiroshi Mizuseki (author) (この著者で検索)
Korea Institute of Science and Technology
;
Yoshiyuki Kawazoe (author) (この著者で検索)
New Industry Creation Hatchery Center, Tohoku University, Sendai 980–8579, Japan
;
Jun Nara (author) (この著者で検索)
National Institute for Materials Science International Center for Materials Nanoarchitectonics/Nano-Theory Field/First-Principles Simulation Group
;
Wen Tong Geng (author) (この著者で検索)
Hainan University
キーワード
DFT, 2D Materials
刊行年月日
2022-12-22
更新時刻
2023-12-25 15:17:40 +0900

HasegawaK_JCSJ2022.pdf
Lattice deformation and phase transition of aluminum nitride studied by density functional theory calculations
ジャーナル論文
著者
Kota Hasegawa (author) (この著者で検索)
;
Takao Shimizu (author) (この著者で検索)
ORCID SAMURAI ;
Naoki Ohashi (author) (この著者で検索)
ORCID SAMURAI
キーワード
AlN, DFT, Strain, Stress, Ferrorlrctricity
刊行年月日
2022-07-01
更新時刻
2025-04-14 16:30:59 +0900

データセット
Hydrogen Equation of State with SCAN-VV10
データセット
著者
Cesare Cozza (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Kousuke Nakano (author) (この著者で検索)
National Institute for Materials Science (NIMS) Center for Basic Research on Materials
ORCID SAMURAI ;
Saburo Howard (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Hao Xie (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Ravit Helled (author) (この著者で検索)
University of Zurich Department of Astrophysics
;
Guglielmo Mazzola (author) (この著者で検索)
University of Zurich Department of Astrophysics
キーワード
Hydrogen, Equation of State, DFT, SCAN-VV10
刊行年月日
更新時刻
2026-01-20 08:34:18 +0900