Keyword: DFT

3 records found.

PhysRevB.109.195417.pdf
Element-selective structural visualization for the oxygen-induced surface of Nb⁡(110)
Journal article
Creator
Yuuki Yasui (author) (Search by this author)
;
Katsuyuki Matsunaga (author) (Search by this author)
;
Keisuke Sagisaka (author) (Search by this author)
ORCID SAMURAI ;
Yoshiaki Sugimoto (author) (Search by this author)
Keyword
Nb(110), AFM, STM, DFT
Date published
2024-05-08
Updated at
2024-05-29 08:30:07 +0900

2D_semiconductors_2022_07_23_SizeReduced.pdf
High-Throughput Computational Screening of Two-Dimensional Semiconductors
Journal article
Creator
Vei Wang (author) (Search by this author)
Xi’an University of Technology
;
Gang Tang (author) (Search by this author)
Beijing Institute of Technology
;
Ya-Chao Liu (author) (Search by this author)
Xi’an University of Technology
;
Ren-Tao Wang (author) (Search by this author)
Xi’an University of Technology
;
Hiroshi Mizuseki (author) (Search by this author)
Korea Institute of Science and Technology
;
Yoshiyuki Kawazoe (author) (Search by this author)
New Industry Creation Hatchery Center, Tohoku University, Sendai 980–8579, Japan
;
Jun Nara (author) (Search by this author)
International Center for Materials Nanoarchitectonics/Nano-Theory Field/First-Principles Simulation Group, National Institute for Materials Science
;
Wen Tong Geng (author) (Search by this author)
Hainan University
Keyword
DFT, 2D Materials
Date published
2022-12-22
Updated at
2023-12-25 15:17:40 +0900

HasegawaK_JCSJ2022.pdf
Lattice deformation and phase transition of aluminum nitride studied by density functional theory calculations
Journal article
Creator
Kota Hasegawa (author) (Search by this author)
;
Takao Shimizu (author) (Search by this author)
ORCID SAMURAI ;
Naoki Ohashi (author) (Search by this author)
ORCID SAMURAI
Keyword
AlN, DFT, Strain, Stress, Ferrorlrctricity
Date published
2022-07-01
Updated at
2025-04-14 16:30:59 +0900