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論文・データセット
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ジャーナル論文(5)
キーワード
DFT (5)
1D spin liquid (1)
AlN (1)
Ferrorlrctricity (1)
LCAO (1)
Li metal battery (1)
MD (1)
Molecular Triangular Lattice System (1)
OpenMX (1)
Permanent magnets (1)
(more)
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Creative Commons BY Attribution 4.0 International (2)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (1)
http://arxiv.org/licenses/nonexclusive-distrib/1.0/ (1)
In Copyright (1)
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キーワード: DFT
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5 件のレコードが見つかりました。
Quasi-One-Dimensional Spin Dynamics in a Molecular Spin Liquid System
ジャーナル論文
著者
Yugo Oshima
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9822-8262
(unauthenticated)
Yugo Oshima
;
Yasuyuki Ishii
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6520-3894
(unauthenticated)
Yasuyuki Ishii
;
Francis L. Pratt
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5919-3885
(unauthenticated)
Francis L. Pratt
;
Isao Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4722-8654
(unauthenticated)
Isao Watanabe
;
Hitoshi Seo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4907-7255
(unauthenticated)
Hitoshi Seo
;
Takao Tsumuraya
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9063-9278
(unauthenticated)
Takao Tsumuraya
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Reizo Kato
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2606-4657
(unauthenticated)
Reizo Kato
キーワード
Molecular Triangular Lattice System
,
1D spin liquid
,
electron spin resonance
,
muon-spin relaxation measurements
,
DFT
,
extended Hubbard model
刊行年月日
2024-12-03
更新時刻
2024-12-06 17:17:56 +0900
Numerical atomic basis orbitals from H to Kr
ジャーナル論文
著者
T. Ozaki
(author) (
この著者で検索
)
T. Ozaki
;
H. Kino
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8912-686X
National Institute for Materials Science
H. Kino
キーワード
OpenMX
,
first-principles calculation
,
DFT
,
LCAO
,
numerical atomic basis
,
benchmark
,
molecules
,
bulks
刊行年月日
2004-05-28
更新時刻
2024-01-05 22:11:39 +0900
MFe6X4 system (M = Mg, Sc, Zr; X = Al, Si, P, Ga, Ge, In, Sn, Sb) as possible ’gap’ magnets
ジャーナル論文
著者
Alena Vishina
(author) (
この著者で検索
)
Uppsala University a Department of Physics and Astronomy
Alena Vishina
;
Rebecca Clulow
(author) (
この著者で検索
)
Rebecca Clulow
;
Daniel Hedlund
(author) (
この著者で検索
)
Daniel Hedlund
;
Vitalii Shtender
(author) (
この著者で検索
)
Vitalii Shtender
;
Peter Svedlindh
(author) (
この著者で検索
)
Peter Svedlindh
;
Martin Sahlberg
(author) (
この著者で検索
)
Martin Sahlberg
;
Olle Eriksson
(author) (
この著者で検索
)
Olle Eriksson
;
Heike C. Herper
(author) (
この著者で検索
)
Heike C. Herper
キーワード
Permanent magnets
,
magnetic anisotropy
,
DFT
,
magnetism
,
rare-earth-free
刊行年月日
2025-12-31
更新時刻
2025-08-18 16:30:29 +0900
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
)
Kota Hasegawa
;
Takao Shimizu
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9508-7601
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takao Shimizu
;
Naoki Ohashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4011-0031
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Naoki Ohashi
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
Unveiling dendrite-suppressing potential of alkali metal-based alloys in lithium metal batteries
ジャーナル論文
著者
Kuan-Yu Lin
(author) (
この著者で検索
)
Kuan-Yu Lin
;
Rui-Tong Kuo
(author) (
この著者で検索
)
Rui-Tong Kuo
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
;
Bing Joe Hwang
(author) (
この著者で検索
)
Bing Joe Hwang
;
Jyh-Chiang Jiang
(author) (
この著者で検索
)
Jyh-Chiang Jiang
キーワード
Li metal battery
,
DFT
,
solid electrolyte interface
,
MD
刊行年月日
2024-04-13
更新時刻
2024-08-20 10:48:14 +0900
キーワード
DFT
(5)
1D spin liquid
(1)
AlN
(1)
Ferrorlrctricity
(1)
LCAO
(1)
Li metal battery
(1)
MD
(1)
Molecular Triangular Lattice System
(1)
OpenMX
(1)
Permanent magnets
(1)
Strain
(1)
Stress
(1)
benchmark
(1)
bulks
(1)
electron spin resonance
(1)
extended Hubbard model
(1)
first-principles calculation
(1)
magnetic anisotropy
(1)
magnetism
(1)
molecules
(1)
muon-spin relaxation measurements
(1)
numerical atomic basis
(1)
rare-earth-free
(1)
solid electrolyte interface
(1)
RDEメタデータ定義
RDE送り状
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