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first-principles calculation (11)
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キーワード: first-principles calculation
全ての絞り込みを解除
11 件のレコードが見つかりました。
First-principles calculations of optical constants
データセット
著者
SHINOTSUKA, Hiroshi
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5147-1396
NIMS Researchers Directory SAMURAI
SHINOTSUKA, Hiroshi
;
YOSHIKAWA, Hideki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7389-8865
NIMS Researchers Directory SAMURAI
YOSHIKAWA, Hideki
;
TANUMA, Shigeo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2628-9941
NIMS Researchers Directory SAMURAI
TANUMA, Shigeo
キーワード
first-principles calculation
,
energy loss function
,
optical constant
,
compound semiconductor
刊行年月日
2021-07-06
更新時刻
2022-10-03 02:03:24 +0900
キーワード
first-principles calculation
(11)
Boltzmann transport calculation
(1)
DFT
(1)
LCAO
(1)
Large-scale DFT
(1)
OpenMX
(1)
SrSi2
(1)
all solid state batteries
(1)
antiperovskite
(1)
benchmark
(1)
bulks
(1)
chemical bonding
(1)
compound semiconductor
(1)
data curation
(1)
database
(1)
density of states
(1)
doping
(1)
electron relaxation time
(1)
electron-phonon interaction
(1)
energy loss function
(1)
gold nanoparticle
(1)
lattice anharmonicity
(1)
lattice thermal conductivity
(1)
materials informatics
(1)
melt growth
(1)
molecular dynamics simulations
(1)
molecules
(1)
numerical atomic basis
(1)
optical constant
(1)
phonon
(1)
phonon-phonon interaction
(1)
phonons
(1)
polar metal
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principal component analysis
(1)
semiconductor
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silicide
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silicides
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sintering
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solid electrolytes
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structural phase transition
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supported nanoparticle
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thermoelectric material
(1)
thermoelectric materials
(1)
thermoelectric properties
(1)
RDEメタデータ定義
RDE送り状
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