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Atsushi Togo
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phono3py
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Phonon
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Phono3py input data to calculate lattice thermal conductvities for zincblende-GaAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-GaAs in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-GaAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InP in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-InP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-BaTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AgI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-AgI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-AgI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeTe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-BeTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-BN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BN in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
zincblende-BN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-GaP in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-GaP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CdO
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-CdO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BeTe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-BeTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CuH in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-CuH
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
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Atsushi Togo
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phono3py
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phonopy
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