Keyword: First-principles calculations
Reset all filters

4 records found.

Reset all filters
05dc08fa-ae0b-9c21-78e7-77b5883c0f65.pdf
Hydrogen embrittlement in Al–Zn–Mg alloys: Semispontaneous decohesion of precipitates
Journal article
Creator
Kazuyuki Shimizu (author) (Search by this author)
;
Hiroyuki Toda (author) (Search by this author)
;
Kyosuke Hirayama (author) (Search by this author)
;
Hiro Fujihara (author) (Search by this author)
;
Tomohito Tsuru (author) (Search by this author)
;
Masatake Yamaguchi (author) (Search by this author)
;
Taisuke T. Sasaki (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Masayuki Uesugi (author) (Search by this author)
;
Akihisa Takeuchi (author) (Search by this author)
Keyword
Hydrogen embrittlement, Al–Zn–Mg alloys, Aluminum alloys, X-ray tomography, First-principles calculations
Date published
2025-02-18
Updated at
2026-01-05 14:33:57 +0900
jpsj.93.123704.pdf
Stability of Correlated Insulating States in Molecular Conductors from First-Principles Calculation
Journal article
Creator
Takao Tsumuraya (author) (Search by this author)
ORCID ; ORCID SAMURAI ;
Hitoshi Seo (author) (Search by this author)
Keyword
First-principles calculations, Density Functional Theory, Molecular Conductors, Strongly Correlated Systems
Date published
2024-12-15
Updated at
2024-11-21 16:30:38 +0900
1-s2.0-S0169433222035930-main.pdf
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
Journal article
Creator
Tomoaki Kaneko (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
ORCID ;
Yui Fujihara (author) (Search by this author)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
ORCID ;
Hiroaki Kobayashi (author) (Search by this author)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
ORCID ;
Keitaro Sodeyama (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
ORCID SAMURAI
Keyword
Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
Date published
2022-12-17
Updated at
2024-01-05 22:13:50 +0900
R3_MVG paper_MDR.pdf
Enhancing atomic ordering, magnetic and transport properties of Mn2VGa Heusler alloy thin films toward negatively spin-polarized charge injection
Journal article
Creator
Z.H. Li (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Nanostructure Analysis Group, National Institute for Materials Science
;
H. Suto (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group, National Institute for Materials Science
ORCID SAMURAI ;
V. Barwal (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group, National Institute for Materials Science
;
K. Masuda (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Spin Theory Group, National Institute for Materials Science
ORCID SAMURAI ;
T.T. Sasaki (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Nanostructure Analysis Group, National Institute for Materials Science
ORCID SAMURAI ;
Z.X. Chen (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
;
H. Tajiri (author) (Search by this author)
Japan Synchrotron Radiation Research Institute (JASRI)
;
L.S.R. Kumara (author) (Search by this author)
Japan Synchrotron Radiation Research Institute (JASRI)
;
T. Koganezawa (author) (Search by this author)
Japan Synchrotron Radiation Research Institute (JASRI)
;
K. Amemiya (author) (Search by this author)
Institute of Meterials Structure Science, KEK
;
S. Kokado (author) (Search by this author)
Shizuoka University
;
K. Hono (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Y. Sakuraba (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials/Magnetic Functional Device Group, National Institute for Materials Science
ORCID SAMURAI
Keyword
Heusler alloy, Atomic order, Magnetic properties, Spintronics, First-principles calculations
Date published
2024-06-13
Updated at
2025-06-24 08:30:47 +0900
Filter