- MDR phonon calculation database(10023)
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- MDR lattice thermal conductivity calculation database(157)
- 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)
- FGMs Database(63)
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- Research Highlights(35)
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- 無機材研ニュース(27)
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- In Copyright (1034)
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10000 件のレコードが見つかりました。
First-principles lattice thermal conductivity calculation for Hg(AuF4)2 / P4/mcc (124) / materials id 29170
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Hg(AuF4)2
- 刊行年月日
- 更新時刻
- 2026-01-24 14:16:43 +0900
First-principles lattice thermal conductivity calculation for Zn2TeBr2O3 / Pccn (56) / materials id 558350
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, Zn2TeBr2O3
- 刊行年月日
- 更新時刻
- 2026-01-24 13:47:01 +0900
First-principles lattice thermal conductivity calculation for K5H(CN2)2 / P4/ncc (130) / materials id 777297
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, K5H(CN2)2
- 刊行年月日
- 更新時刻
- 2026-01-24 13:17:52 +0900
First-principles lattice thermal conductivity calculation for ScCuSe2 / P2_1/c (14) / materials id 677055
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, ScCuSe2
- 刊行年月日
- 更新時刻
- 2026-01-24 13:03:29 +0900
First-principles lattice thermal conductivity calculation for KLa5(CCl5)2 / P2_1/c (14) / materials id 571240
- データセット
- コレクション
- MDR lattice thermal conductivity calculation database
- 著者
-
Atsushi Togo (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- Lattice thermal conductivity, KLa5(CCl5)2
- 刊行年月日
- 更新時刻
- 2026-01-24 12:54:32 +0900
Revealing the Localization of NiAl-Type Nano-Scale B2 Precipitates Within the BCC Phase of Ni Alloyed Low-Density FeMnAlC Steel
- ジャーナル論文
- 著者
-
Mainak Saha (author) (この著者で検索)Indian Institute of Technology, Madras Metallurgical and Materials Engineering
;
;M. B. Ponnuchamy (author) (この著者で検索);M. Sadhasivam (author) (この著者で検索);Chinmoy Mahata (author) (この著者で検索);G. Vijayaragavan (author) (この著者で検索);Karanam Gururaj (author) (この著者で検索);K. Suresh (author) (この著者で検索);N. Chandrasekaran (author) (この著者で検索);D. Prabhu (author) (この著者で検索);Krushna Kumbhar (author) (この著者で検索)K. G. Pradeep (author) (この著者で検索)
- キーワード
- Precipitate localisation, Atom Probe Tomography, Steels
- 刊行年月日
- 2022-06-08
- 更新時刻
- 2024-07-25 12:30:12 +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
Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis
- ジャーナル論文
- 著者
-
Aaditya Manjanath (author) (この著者で検索)National Institute for Materials Science
;
Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
Kaoru Ohno (author) (この著者で検索)
https://orcid.org/0000-0002-1980-5971
(unauthenticated)
;
Yoshiyuki Kawazoe (author) (この著者で検索) - キーワード
- Molecular dynamics, Methane photolysis, Excited states, time-dependent density functional theory, GW approximation
- 刊行年月日
- 2024-05-14
- 更新時刻
- 2025-05-14 08:30:07 +0900
Luminescence Spectra Simulation of Ce 3+ ‐Activated Phosphors by Accumulating Emission Lines Along First‐Principles Molecular Dynamics Trajectories
- ジャーナル論文
- 著者
-
Satoru Matsuishi (author) (この著者で検索)
;
Hidekazu Ikeno (author) (この著者で検索)
https://orcid.org/0000-0002-3840-4049
(unauthenticated)
;
Yukinori Koyama (author) (この著者で検索)
;
Takashi Takeda (author) (この著者で検索)
- キーワード
- Ce3+-activated phosphor, first-principles molecular dynamics, photoluminescence
- 刊行年月日
- 2026-05-27
- 更新時刻
- 2026-06-01 16:26:03 +0900
Localisation-to-delocalisation transition of moiré excitons in WSe2/MoSe2 heterostructures
- ジャーナル論文
- 著者
-
;Elena Blundo (author) (この著者で検索);Federico Tuzi (author) (この著者で検索);Salvatore Cianci (author) (この著者で検索);Marzia Cuccu (author) (この著者で検索);Katarzyna Olkowska-Pucko (author) (この著者で検索);Łucja Kipczak (author) (この著者で検索);Giorgio Contestabile (author) (この著者で検索);Antonio Miriametro (author) (この著者で検索);Marco Felici (author) (この著者で検索);Giorgio Pettinari (author) (この著者で検索)Takashi Taniguchi (author) (この著者で検索)National Institute for Materials Science
;
Kenji Watanabe (author) (この著者で検索)National Institute for Materials Science
;
;Adam Babiński (author) (この著者で検索);Maciej R. Molas (author) (この著者で検索)Antonio Polimeni (author) (この著者で検索)
- キーワード
- Moiré excitons, interlayer excitons, temperature dependence
- 刊行年月日
- 2024-02-05
- 更新時刻
- 2025-02-10 12:30:19 +0900