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Atsushi Togo
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Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-CaTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-CaTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiF
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiF in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-LiF
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaBr in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-NaBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-SiC
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-SiC in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-SiC
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaCl
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-NaCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaS
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaS in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-BaS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-GaP in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-GaP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InN in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-InN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-ZnSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-ZnSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlP in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-AlP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
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Phonon
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rocksalt-AgBr
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Creative Commons BY Attribution 4.0 International
103
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Atsushi Togo
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VASP
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phono3py
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phonopy
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spglib
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