キーワード: first-principles calculation
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4 件のレコードが見つかりました。

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SrSi2_Ga_Kunioka_J_Mater_Sci_59.pdf
Investigation of group 13 elements as potential candidates for p-type dopants in the narrow-gap thermoelectric semiconductor α-SrSi2
ジャーナル論文
著者
Haruno Kunioka (author) (この著者で検索)
;
Daishi Shiojiri (author) (この著者で検索)
;
Shinta Takahashi (author) (この著者で検索)
;
Kota Hiratsuka (author) (この著者で検索)
;
Masato Yamaguchi (author) (この著者で検索)
;
Naomi Hirayama (author) (この著者で検索)
;
Yoji Imai (author) (この著者で検索)
;
Motoharu Imai (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tsutomu Iida (author) (この著者で検索)
キーワード
silicide, thermoelectric material, doping, first-principles calculation, melt growth, sintering, SrSi2
刊行年月日
2024-04-25
更新時刻
2024-07-17 09:05:42 +0900
McGaughey et al. 2025 - Phonon Olympics - Phonon property and lattice thermal conductivity benchmarking from open-source packages.pdf
Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
ジャーナル論文
著者
Alan J. H. McGaughey (author) (この著者で検索)
ORCID ;
Lucas Lindsay (author) (この著者で検索)
ORCID ;
Hua Bao (author) (この著者で検索)
ORCID ;
Tomu Hamakawa (author) (この著者で検索)
ORCID ;
Rinkle Juneja (author) (この著者で検索)
ORCID ;
Shouhang Li (author) (この著者で検索)
ORCID ; ORCID ;
Ryota Masuki (author) (この著者で検索)
;
Fanchen Meng (author) (この著者で検索)
ORCID ;
Han Meng (author) (この著者で検索)
;
Tribhuwan Pandey (author) (この著者で検索)
ORCID ;
Cheng Shao (author) (この著者で検索)
ORCID ;
Junichiro Shiomi (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ;
Ao Wang (author) (この著者で検索)
ORCID ;
Xinyu Zhang (author) (この著者で検索)
ORCID
キーワード
phonon, first-principles calculation, lattice thermal conductivity
刊行年月日
2025-10-07
更新時刻
2025-11-13 12:30:10 +0900
LLNOF_es1_rev_v3.pdf
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li2−xLa(1+x)/3Nb2O6F: a first-principles calculation study
ジャーナル論文
著者
Randy Jalem (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Kazunori Takada (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Hitoshi Onodera (author) (この著者で検索)
;
Shuhei Yoshida (author) (この著者で検索)
キーワード
all solid state batteries, solid electrolytes, first-principles calculation, molecular dynamics simulations
刊行年月日
2024-10-28
更新時刻
2025-10-28 08:30:19 +0900
apssamp.ver6.pdf
Continuous crossover between insulating ferroelectrics and polar metals: Ab initio calculation of structural phase transitions of Li B O 3 ( B = Ta , W, Re, Os)
ジャーナル論文
著者
Ryota Masuki (author) (この著者で検索)
ORCID ;
Takuya Nomoto (author) (この著者で検索)
ORCID ;
Ryotaro Arita (author) (この著者で検索)
ORCID ;
Terumasa Tadano (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
first-principles calculation, phonons, structural phase transition, polar metal, lattice anharmonicity
刊行年月日
2024-09-03
更新時刻
2024-09-09 16:30:30 +0900
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