- MDR phonon calculation database(9046)
- MDR lattice thermal conductivity calculation database(122)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method (PBE)(70)
- Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method(70)
- Creative Commons BY Attribution 4.0 International (9361)
- In Copyright (37)
- Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (21)
- Creative Commons BY-NC Attribution-NonCommercial 4.0 International (5)
- http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (3)
- cc-by-nc-3.0 (1)
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9437 件のレコードが見つかりました。 1件目から10件目まで表示します。
TOAST: Template Oriented Atomic Simulation Toolkit
- データセット
- 著者
-
XU, Yibin (author) (この著者で検索)
;
ARAI, Masao (author) (この著者で検索)
- キーワード
- CompES-X, toolkit, First-principles calculation, atomic simulation
- 刊行年月日
- 2020-11-20
- 更新時刻
- 2022-10-03 01:26:50 +0900
High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
- ジャーナル論文
- 著者
-
Enda Xiao (author) (この著者で検索)
https://orcid.org/0000-0002-4372-1575
(unauthenticated)
;
Terumasa Tadano (author) (この著者で検索)
- キーワード
- Heusler alloys, High-throughput calculations, Phonon stability, Curie temperature, Compensated ferrimagnet
- 刊行年月日
- 2025-07-16
- 更新時刻
- 2025-09-11 12:30:19 +0900
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- ジャーナル論文
- 著者
-
;Masato Ohnishi (author) (この著者で検索);Tianqi Deng (author) (この著者で検索);Pol Torres (author) (この著者で検索);Zhihao Xu (author) (この著者で検索)Terumasa Tadano (author) (この著者で検索)
;
;Haoming Zhang (author) (この著者で検索);Wei Nong (author) (この著者で検索);Masatoshi Hanai (author) (この著者で検索);Zeyu Wang (author) (この著者で検索);Michimasa Morita (author) (この著者で検索);Zhiting Tian (author) (この著者で検索);Ming Hu (author) (この著者で検索);Xiulin Ruan (author) (この著者で検索);Ryo Yoshida (author) (この著者で検索);Toyotaro Suzumura (author) (この著者で検索);Lucas Lindsay (author) (この著者で検索);Alan J. H. McGaughey (author) (この著者で検索);Tengfei Luo (author) (この著者で検索);Kedar Hippalgaonkar (author) (この著者で検索)Junichiro Shiomi (author) (この著者で検索)
- キーワード
- Thermal conductivity, Phonon, First-principles calculation
- 刊行年月日
- 2026-04-13
- 更新時刻
- 2026-05-12 08:46:56 +0900
Large anomalous Nernst conductivity of L10-ordered CoPt in CoPt composition-spread thin films
- ジャーナル論文
- 著者
-
Ryo Toyama (author) (この著者で検索)National Institute for Materials Science
;
Keisuke Masuda (author) (この著者で検索)National Institute for Materials Science
;
Kodchakorn Simalaotao (author) (この著者で検索)National Institute for Materials Science
;
Weinan Zhou (author) (この著者で検索)National Institute for Materials Science
;
Varun K Kushwaha (author) (この著者で検索)
https://orcid.org/0000-0001-6344-4264
(unauthenticated)
National Institute for Materials Science
;
Yuya Sakuraba (author) (この著者で検索)National Institute for Materials Science
- キーワード
- anomalous Nernst conductivity, anomalous Nernst effect, L10-ordered alloy, CoPt, anomalous Hall effect, composition-spread films
- 刊行年月日
- 2024-10-11
- 更新時刻
- 2025-07-16 08:30:38 +0900
First-principles prediction of supported metal nanoparticle structures based on Wulff–Winterbottom construction
- ジャーナル論文
- 著者
-
;Miyu Onishi (author) (この著者で検索);Ayako Nakata (author) (この著者で検索)Hiromi Nakai (author) (この著者で検索)
- キーワード
- Metal nanoparticles, First-principles calculation, Wulff construction, Winterbottom construction, Surface energy
- 刊行年月日
- 2026-07-02
- 更新時刻
- 2026-07-09 08:30:12 +0900
Interfacial giant tunnel magnetoresistance and bulk-induced large perpendicular magnetic anisotropy in (111)-oriented junctions with fcc ferromagnetic alloys: A first-principles study
- ジャーナル論文
- 著者
-
Keisuke Masuda (author) (この著者で検索)National Institute for Materials Science
;
;Hiroyoshi Itoh (author) (この著者で検索);Yoshiaki Sonobe (author) (この著者で検索)Hiroaki Sukegawa (author) (この著者で検索)National Institute for Materials Science
;
Seiji Mitani (author) (この著者で検索)National Institute for Materials Science
;
Yoshio Miura (author) (この著者で検索)National Institute for Materials Science
- キーワード
- Tunnel magnetoresistance, Magnetic anisotropy, Magnetic tunnel junction, Spintronics
- 刊行年月日
- 2021-02-22
- 更新時刻
- 2024-04-11 16:30:23 +0900
Ab-initio phonon calculation for Nd2Pt2O7 / Fd-3m (227) / materials id 9765
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, Nd2Pt2O7, Fd-3m (227)
- 刊行年月日
- 更新時刻
- 2023-05-14 19:01:54 +0900
Ab-initio phonon calculation for Nd2Zr2O7 / Fd-3m (227) / materials id 5977
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, Nd2Zr2O7, Fd-3m (227)
- 刊行年月日
- 更新時刻
- 2023-05-14 18:32:59 +0900
Ab-initio phonon calculation for Er2Ti2O7 / Fd-3m (227) / materials id 5889
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, Er2Ti2O7, Fd-3m (227)
- 刊行年月日
- 更新時刻
- 2023-05-14 18:59:24 +0900
Ab-initio phonon calculation for Ta2Cd2O7 / Fd-3m (227) / materials id 5548
- データセット
- コレクション
- MDR phonon calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science MaDIS
- キーワード
- Phonon, Ta2Cd2O7, Fd-3m (227)
- 刊行年月日
- 更新時刻
- 2023-05-14 18:54:25 +0900